[gmx-users] Re: topology error

[ITHAYARAJA]

only 59 particle variation found out of 230 ligand coordinates.

On 8 October 2011 12:22, ITHAYARAJA <ithayaraja at gmail.com> wrote:

> Dear Sir,
>
>
> I am actually simulating my protein with its ligand so I incorporated all
> ligand (3) coordinates to my protein .gro file and placed its .itp file
> also. I used gromas96 43a1 force field.
>
> I found following error when i was doing grompp for energy minimization. I
> went through FAQ and checked all but i couldn't find what exactly it was.
>
> So, I attached that files to you. I need your help to solve this
>
> Program grompp, VERSION 4.5.1
> Source code file: grompp.c, line: 377
>
> Fatal error:
> number of coordinates in coordinate file (GR_b4ion.gro, 66074)
>              does not match topology (GR.top, 66015)
>
>
> --
> **
> Ithayaraja M,
> Research Scholar,
> Department of Bionformatics,
> Bharathiar University,
> Coimbatore 641 046,
> Tamil Nadu
> India
>



-- 
**
Ithayaraja M,
Research Scholar,
Department of Bionformatics,
Bharathiar University,
Coimbatore 641 046,
Tamil Nadu
India
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