[gmx-users] mindist during MD

[David van der Spoel]

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 mindist?
what cutoff? PME or not?

-- 
David.
________________________________________________________________________
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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