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On 3/8/16 8:19 PM, Sana Saeed wrote:
dear Justin Lemkuli already run that without restraints, it has no problems.
even i used the gro file from the simple 5ns MD but still have these same
errors
On 3/7/16 10:35 PM, Sana Saeed wrote:
i am performing protein ligand binding free energy calculation MD. i have
applied distance restraint to 1 pair of atoms. now when i am running md it
gives me LINCS warnings. first i thought it is because of wrong geometry so i
changed complex, now i am
i am performing protein ligand binding free energy calculation MD. i have
applied distance restraint to 1 pair of atoms. now when i am running md it
gives me LINCS warnings. first i thought it is because of wrong geometry so i
changed complex, now i am doing it for Lysozyme+JZ4. but still same
