[gmx-users] Creating Custom .rtp files

RAHUL SURESH drrahulsuresh at gmail.com
Tue Jul 25 16:35:05 CEST 2017

On Tue, 25 Jul 2017 at 5:58 PM, Momin Ahmad <momin.ahmad at kit.edu> wrote:

> Hi,
> I created a custom .pdb file and the associated .rtp file for the
> force-field (amber99sb-ildn.ff). The command pdb2gmx works fine for the
> 5.1.2 version of gromacs but not for the 2016.3 version. The 2016.3
> version is a local installation in my /home/user folder. The log shows
> the correct paths but does not consider my custom .rtp file.

I would recommend to check whether the rtp file location and source where
gmx  you have installed match. Apart from that I do not think any error
with version of Gromacs.

> Am i doing
> something wrong with the newer version? I added two simple files of my
> problem. Thanks in advance.
> Cheers
> Momin Ahmad
> Karlsruher Institut of Technology
> Germany
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*Rahul Suresh*
*Research Scholar*
*Bharathiar University*

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