[gmx-users] Can you help regarding this
Prasanth G, Research Scholar
prasanthghanta at sssihl.edu.in
Sat Mar 14 10:11:04 CET 2020
Dear Kushal,
Regarding the first error, I feel that you have done a few mistakes while
updating your topology section as your system has more atoms than what is
in the topology. Kindly go through the tutorials on this site -
http://www.mdtutorials.com/gmx/index.html, to get a picture on how to do it.
Regarding second error, I think your system has a ligand that the
forcefield is not able to define. I am guessing you have already
parametrized this. If you have submitted this ligand to a server, maybe you
are using a different file than what you were supposed to? Kindly recheck.
--
Regards,
Prasanth.
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