[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.


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