[gmx-users] Fwd: residue not found in the database.

[Amir Zeb]

Hello Abbas,

please suggest
me any solution and also tell me can we use any other forcefield or not?

You may try Amber family forcefields

Residue 97 named ARG of a molecule in the input file was mapped to an entry
in the topology database, but the atom CG used in that entry is not found
in the input file. Perhaps your atom and/or residue naming needs to be
fixed.

You'r input file should have the same atom names as depicted in the
corresponding forcefield.
You need to check the concerned atom name in the forcefield rtp file you
want to use, and put them both the similar.

Good luck

Amir

On Sun, Feb 12, 2017 at 9:18 PM, abbas khan <biotechuos4 at gmail.com> wrote:

> I'm trying to do a complex simulation in Gromacs but it is showing the
> following Error, how to solve this?
>
> Residue 97 named ARG of a molecule in the input file was mapped to an entry
> in the topology database, but the atom CG used in that entry is not found
> in the input file. Perhaps your atom and/or residue naming needs to be
> fixed.
>
> for all FF this problem is coming again and again.
>
> Gromacs simulation of Metalloproteins?
>
> Hi everyone, Hope you will be doing well. I'm new in the field of
> simulation and using Gromacs. , I appreciate your efforts the way you
> provided step by step tutorials. , I'm simulation a protein with cofactors
> Zinc and Magnesium. I searched on the internet and people suggested to use
> CHARMM force field but the thing is when I'm using CHARMM force field it is
> showing ZINC topology parameters not found in the database.  please suggest
> me any solution and also tell me can we use any other forcefield or not?
> --
> Gromacs Users mailing list
>
> * Please search the archive at http://www.gromacs.org/
> Support/Mailing_Lists/GMX-Users_List before posting!
>
> * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
>
> * For (un)subscribe requests visit
> https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or
> send a mail to gmx-users-request at gromacs.org.
>