[gmx-users] A very Basic query

Venky Krishna venky.agas at gmail.com
Thu Aug 23 00:48:41 CEST 2007


well I don't know if it can be done with gromacs... but sure can be  
using shell script + perl script.
do something like this....

#!/usr/bin/perl
  while ($i<10)
  {
          system ("g_dist << EOF
           13
           14
           EOF");
           $i=$i+1;
   }

Venky

On Aug 22, 2007, at 7:44 AM, priyanka srivastava wrote:

> Dear All,
>
> Apologies for a very basic query.
>
> I wish to run g_dist command using groups 13 & 14 say
> 10 times, when I write the perl script it prompts me
> at the following point 10 times:
>
> Select a group:
>
> So I have to manually give 13 and 14 each time.
>
> Is there anyway in gromacs to automate it??
>
> Priyanka.
>
>
>
>
>
>
>
>
>
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