(no subject)

From: Srijita Paul (srijitap91_at_gmail.com)
Date: Fri Mar 16 2018 - 05:54:30 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 this?

This archive was generated by hypermail 2.1.6 : Mon Dec 31 2018 - 23:20:55 CST