[gmx-users] pdb2gmx options -una and -H14

Marc Baaden baaden at smplinux.de
Wed Apr 14 17:40:00 CEST 2004


I was wondering whether people usually use the -una and -H14 options
of pdb2gmx ? I haven't found any discussion of their usefulness/advantages/
drawbacks so far.

Probably this also depends on the forcefield, so I am posing this question
with GROMOS96 43a2 in mind.

Thanks in advance,
  Marc Baaden

 Dr. Marc Baaden  - Institut de Biologie Physico-Chimique, Paris
 mailto:baaden at smplinux.de      -      http://www.marc-baaden.de
 FAX: +49 697912 39550  -  Tel: +33 15841 5176 ou +33 609 843217

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