[gmx-users] difference btw pbc=xyz and pbc=full
badisa at CLEMSON.EDU
Wed Apr 7 01:15:01 CEST 2004
thanks for ur prompt response to my last mail.
what's the major difference btw using pbc=xyz and pbc=full, in terms of
executing an mdrun.
is there any reference you can suggest that talks about it?
and also, how does the use of pbc=full take care of large inconsistent shifts?
Dept of Chemical Engineering
Clemson, SC 29634-0909
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