[gmx-users] still don't know how to modify my input file: Re: energy minimization runs with error like too large force

Xavier Periole x.periole at chem.rug.nl
Mon Nov 22 16:25:00 CET 2004

HR Hu wrote:

>Dear David:
>    Thanks for your kind reply so soon. But I still don't know how to
>modify the coordinates of the water 7773 generated by genbox.
Edit the file and erase it !!! that would solve your problem. The
equilibration will rearrange your bulk solvent as if nothing ever
happened !!!



   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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