[gmx-users] atoms over 100,000

[Erik Marklund]

Hi,

No, start over from 1. Remember that gro-files are fixed format.

Erik

On 9 Oct 2014, at 16:19, Albert <mailmd2011 at gmail.com> wrote:

> thx a lot for the reply.
> 
> But if I would like to define atom  100'001, should I just specify 100'001 directly and Gromacs will treat it without any problem?
> 
> thanks again
> 
> Albert
> 
> 
> On 10/09/2014 04:45 PM, Erik Marklund wrote:
>> Hi,
>> 
>> Atom indices in gro files aren't actually used by the gromacs tools. Hence going over 100,000 is not a problem.
>> 
>> Kind regards,
>> Erik
>> 
>> 
>> Erik Marklund, PhD
>> Postdoctoral Research Fellow, JRF
>> 
>> Department of Chemistry
>> Physical & Theoretical Chemistry Laboratory
>> University of Oxford
>> South Parks Road
>> Oxford
>> OX1 3QZ
> 
> -- 
> 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.