[gmx-users] Re: GROMACS question

K.A. Feenstra Feenstra at chem.vu.nl
Tue Aug 26 10:57:01 CEST 2003


J.Raul Grigera wrote:
> Dear Anton,
>          I am trying to produce a simulation with a 'non -existing' 
> atoms.  When producing the .gro files trough editconf I can not tell  
> him  the van der Waals radius.  Using the option -vdwd 2.5 (is a big 
> atom!) always assign the default value.  Can you help me?

I'm not sure what you are trying to do. Could you explain in more detail?
Furthermore, please direct your question to the Gromacs users mailing list
(gmx-users at gromacs.org, subscribe at the website www.gromacs.org).


-- 
Groetjes,

Anton
  _____________ _______________________________________________________
|             |                                                       |
|  _   _  ___,| K. Anton Feenstra                                     |
| / \ / \'| | | Dept. of Pharmacochem. - Vrije Universiteit Amsterdam |
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|             | Feenstra at chem.vu.nl - www.chem.vu.nl/~feenstra/       |
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