[gmx-users] restart an amber run in gromacs

Tsjerk Wassenaar tsjerkw at gmail.com
Thu Nov 22 09:34:48 CET 2007

Hi Servaas,

In addition to the other remarks, also consider what happens to your system
when you instantly go from discarding all interactions beyond 8 angstrom to
including all interactions in the periodic system (with PME).


Tsjerk A. Wassenaar, Ph.D.
Junior UD (post-doc)
Biomolecular NMR, Bijvoet Center
Utrecht University
Padualaan 8
3584 CH Utrecht
The Netherlands
P: +31-30-2539931
F: +31-30-2537623
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