[gmx-users] Implement a modified pull module to mdrun
Li, Hualin
Hualin.Li at uth.tmc.edu
Mon Aug 12 18:52:35 CEST 2013
Hi all,
I found one paper talking about they "implement a wall potential in the pull module of the mdrun program". Does anybody know how they do it please? Is it the similar method introduced in "User-specified potential functions" by using following in mdp:
rilst = 1.0
coulombtype =user
rcoulomb = 1.0
vdwtype = user
rvdw = 1.0
Thanks in advance.
--H.L
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