[gmx-users] mindist during MD
David van der Spoel
spoel at xray.bmc.uu.se
Thu Mar 22 08:51:54 CET 2007
spitaleri.andrea at hsr.it wrote:
> Hi all,
> my rlist = rcoulomb = rvdw = 0.9 and during my simulation I have mindist
> 0.968 at 460 ps over 2ns total. the starting point was 1.8 and the
> mindist fluctuates from 1 to 2. is it normal this kind of behaviour (so
> spread I mean)? the box and the volume seem okay.
> any help?
> thanks in advance
> an't post? Read http://www.gromacs.org/mailing_lists/users.php
what cutoff? PME or not?
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://folding.bmc.uu.se
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