Yun Shi wrote:
Hi all,
I am doing MD simulation on two almost identical protein-ligand systems
with GROMACS4.5.4 and amber99SB force fields.
Almost every single parameter I used for this two systems are the same
(I literally copied the mdp files for both), except that one has 65235
atoms
Hi all,
I am doing MD simulation on two almost identical protein-ligand systems with
GROMACS4.5.4 and amber99SB force fields.
Almost every single parameter I used for this two systems are the same (I
literally copied the mdp files for both), except that one has 65235 atoms
while the other has 652
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