[gmx-users] NMA for a group

Christian Seifert cseifert at bph.ruhr-uni-bochum.de
Tue Jun 19 14:39:03 CEST 2007


I want to make a NMA just for one Group of molecules, because a QMMM-NMA takes 
too long for the whole system. Of cause, the EM in the step before has been 
done for the whole system. The manual does not tell how to do this. Did 
someone tried this before?



B.Sc. Christian Seifert
Department of Biophysics
University of Bochum
ND 04/67
44780 Bochum
Tel: +49 (0)234 32 28363
Fax: +49 (0)234 32 14626
E-Mail: cseifert at bph.rub.de
Web: http://www.bph.rub.de

More information about the gromacs.org_gmx-users mailing list