[gmx-users] Atomic charges

Pallavi Banerjee pallavisept at students.iiserpune.ac.in
Wed Sep 16 10:12:32 CEST 2015

The forcefield is OPLS-AA. I put in the modified charges for the residue in
the aminoacids.rtp file. The topology generated also shows the same charges
that I put. But I was wondering if the charges defined for the atomtypes in
the ffnonbonded.itp overrride these.

Thanks and regards,

-Pallavi Banerjee

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