Re: CHARMM-GUI running error for ligand

From: Hannes Loeffler (
Date: Fri Mar 30 2012 - 05:50:58 CDT

On Fri, 30 Mar 2012 12:48:12 +0200
Albert <> wrote:

> Hi hannes:
> thank you very much for kind messages. It seems that there is no
> atom type in the .prm file from CHARMM-GUI output. Do you have any
> suggestions for solving this problem? I also generate several
> topology file for ligands, and there are always some atom cannot file
> VDW paramters.....

Your problem is not with NAMD but obviously with CHARMM-GUI and the
software it is using. You will have to find out why this CGenFF program
does not create all parameters needed.

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