[gmx-users] grompp erro

Albert 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!
> -Justin

Hello Justin:

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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