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

[smritiaishwarya85 at gmail.com]

Checked the file again. It is the one that gets generated after the solvation command is run.

Sent from my iPhone

> On 30-Oct-2017, at 9:39 PM, Mark Abraham <mark.j.abraham at gmail.com> wrote:
> 
> 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.
>> 
> -- 
> 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.