[gmx-users] Number of coordinates in .gro file does not match topology

[Mark Abraham]

Hi,

The most likely scenario is that you are looking at a gro file that is not
the one that was written by the solvation tool.

Mark

On Mon, Oct 30, 2017 at 9:41 AM Aishwarya Smriti <
smritiaishwarya85 at gmail.com> wrote:

> Hi!
>
> I'm trying to solvate a system of a CNT and a protein molecule. My updated
> topology file shows 106275 new solvent molecules added but the .gro file
> has only coordinates for 6197 new molecules. I'm using SPC model for
> solvating, Please help.
>
> Regards,
> Aishwarya Smriti
> Senior Undergraduate
> Chemical Engineering
> Indian Institute of Technology, Delhi
> --
> 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.
>