[gmx-users] [Fwd: No Subject]genion
spoel at xray.bmc.uu.se
Tue Aug 9 08:20:42 CEST 2005
Sorry. I would like to know if adding Cl- ions with no random option would
produce the same results as adding at the positions of
largest electrostatic potential for energy minimization of BPTI-trypsin
complex. I am going to be some independent calculations so it would be of
great help to me.
David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596, 75124 Uppsala, Sweden
phone: 46 18 471 4205 fax: 46 18 511 755
spoel at xray.bmc.uu.se spoel at gromacs.org http://xray.bmc.uu.se/~spoel
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