From: Peter Mawanga (peter.mawanga.lagos_at_gmail.com)
Date: Mon Nov 21 2016 - 06:17:18 CST
Hello everyone
Is it feasible to use different *switchdist* for LJ and electrostatic
interactions in *Martini* simulations? I would like to switch LJ from say 9
Å and electrostatics from 0 Å to final *cutoff* distance.
htp://
www.ks.uiuc.edu/Research/namd/2.9/ug/node23.html#SECTION00082300000000000000
As per the NAMD literature available, this should be possible, but cannot
figure out how to implement the same:
http://www.sciencedirect.com/science/article/pii/S1047847706002541
http://journals.plos.org/ploscompbiol/article?id=10.1371%2Fjournal.pcbi.1003488
http://pubs.acs.org/doi/abs/10.1021/ci500007n
http://pubs.acs.org/doi/abs/10.1021/jp0550816
http://pubs.acs.org/doi/abs/10.1021/ct300696c
http://www.sciencedirect.com/science/article/pii/S0969212609000720
Please suggest some way of doing so if it can be done.
Cheers
Peter
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