[gmx-users] Umberella sampling
ramezanpour.mohsen at gmail.com
Tue Mar 15 14:44:44 CET 2011
afew question in umberella sampling tutorial:
1-We do umberella sampling for each of 25 simulation windows,while using a
spring(harmonic potential),Are these springs 1 or 3 dimensional?
2-Suppose the length of one windows is X nm,what is the approperiate K
(spring constant) for this window?Is there a general way to determine this
3-I think the K must be such that the oscilation amplitude be a few larger
than X/2, because we need overlapping of density distribution for analysing
with wham method, am I right?
Thanks in advance
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