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Reminder:openmm import #5

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quantaosun opened this issue Nov 12, 2023 · 0 comments

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quantaosun commented Nov 12, 2023

from simtk.openmm import *
from simtk.openmm.app import *
from simtk.unit import *
from sys import stdout
from openmm.app import PDBFile # for final frame pdb generation

or

from openmm import *
from openmm.app import *
from openmm.unit import *
from sys import stdout
from openmm.app import PDBFile # for final frame pdb generation

Due to different openmm versions, you might need to modify the openmm python script if you try to launch a simulation within bash terminals.

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