[EMAIL PROTECTED] 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
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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
[EMAIL PROTECTED] [EMAIL PROTECTED] http://folding.bmc.uu.se
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