[gmx-users] grompp erro
mailmd2011 at gmail.com
Sun Jan 19 17:37:22 CET 2014
On 01/19/2014 05:23 PM, Justin Lemkul wrote:
> Google knows about dozens of posts about this error. The list is
> archived for a reason!
thanks for the reply. I've already looked into previous thread. It seems
that this error comes from merge.rtp.
I am using latest 2014 charmm36 for my system. I've introduced two HISD
and one GLUP residues for my protein (I specified them in the input.pdb
file when I am doing pdb2gmx). when I tried to do minimization with the
pdb2gmx output file, the above error occurs. However, if I don't
introduced the the above three residues, there is not any problem.....
I don't know what happen to the HISD and GLUP residue parameters in the
latest 2014 charmm36 FF..
thank you very much.
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