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Update schrodinger.md #120

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Sep 11, 2023
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Update schrodinger.md #120

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191dd6d
Create schrodinger.md
mpiercy Sep 5, 2023
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add nav entry for new page
kcgthb Sep 5, 2023
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Merge branch 'main' into mpiercy-patch-5
kcgthb Sep 8, 2023
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Update schrodinger.md
mpiercy Sep 11, 2023
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Merge branch 'mpiercy-patch-5' of https://github.com/stanford-rc/www.…
kcgthb Sep 11, 2023
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fixes for spellcheck test
kcgthb Sep 11, 2023
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2 changes: 2 additions & 0 deletions .github/workflows/config/spellcheck.wordlist.txt
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Expand Up @@ -18,3 +18,5 @@ MPI
NUMA
PDU
SMP
Schrödinger
OnDemand
14 changes: 7 additions & 7 deletions src/docs/software/using/schrodinger.md
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Expand Up @@ -2,7 +2,7 @@

The [Schrödinger][url_schrodinger] suite is a commercial and licensed software
used to simulate and model molecular behavior at the atomic level.
Schrödinger's software tools include molecular dynamics simulations, quantum
The Schrödinger software tools include molecular dynamics simulations, quantum
mechanics calculations, virtual screening and visualization tools.

### More documentation
Expand All @@ -19,11 +19,11 @@ contact [Schrödinger support][url_schrodinger_support].
[Stanford Libraries][url_sul] have purchased a site license for the Schrödinger
suite. Please contact Stanford Libraries at [email protected] and CC
{{ support_email }} if you would like to access Schrödinger on Sherlock: after
we receive confirmation, your PI group will be granted access. on Sherlock.
we receive confirmation, your PI group will be granted access on Sherlock.

### Using Schrödinger

You can use Schrödinger software fater having loaded the corresponding
You can use Schrödinger software after having loaded the corresponding
[software module][url_modules] with the `module` command. To load the current
default version:

Expand Down Expand Up @@ -77,7 +77,7 @@ $ maestro
```

You'll need to enable X11 forwarding in your initial connection to Sherlock,
and request it as well for your job allocationi.
and request it as well for your job allocation.

Here are some example commands you can run:

Expand All @@ -104,15 +104,15 @@ interface on your local machine's display.
scheduled computations are carried over on the cluster.


For more information about X11 forwarding, you can refer to this [UIT
page][url_x11].
For more information about X11 forwarding, you can refer to this
[page][url_x11].


## Examples

### batch job submission

Here's an example [sbatch][url_sbatch] script, requesting 1 CPU, for 10 minutes
Here's an example [batch][url_sbatch] script, requesting 1 CPU, for 10 minutes
on the `normal` partition, that can be saved as `water.sbatch`:

```bash
Expand Down