[gmx-users] genconf

Xavier Periole x.periole at chem.rug.nl
Thu Jul 15 22:34:28 CEST 2004

Dinesh Pinisetty wrote:

>Respected Dr.Xavier,
>            I think it was genbox not genbos.Anyway by the solution you
>have given the box size can be increased but i need to multiply molecules
>with atoms.If suppose I have 14 atoms in one molecule numbering from 1-14,I
>need to mutiply it to 8-9 molecules with atoms numbering increasing
>continuosly.i.e atoms should go to a number 9*14.
>I appreciate your help,Thanks in advance.....
It is genbox !!!
I don't get your problem. You can clean the conf with editconf -f 
init.gro -o cleaned.gro !!!


   Xavier Periole - Ph.D.

   Dept. of Biophysical Chemistry / MD Group 
   Univ. of Groningen
   Nijenborgh 4
   9747 AG Groningen
   The Netherlands

   Tel: +31-503634329
   Fax: +31-503634800
   email: x.periole at chem.rug.nl
   web-page: http://md.chem.rug.nl/~periole

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