From: Srijita Paul (srijitap91_at_gmail.com)
Date: Fri Mar 16 2018 - 14:14:22 CDT
I am trying to run a simulation where I want to use charm general force
field for protein and opls-aa force field for the ligand. I have saved the
opls-aa parameter in charm format in .prm file. But after running the
simulation I am getting such type of error for all the atoms of the ligand
and simulation failed.
0:463(1165) atom 648 found 0 exclusions but expected 5
In my configuration file I also tried the command "vdwGeometricSigma
yes" and got the same error.
Can I use charm and opls-aa force field together in a same simulation. If
yes why this error is comming and what should I do for it?
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