[gmx-users] shift function for vdwtype and density

Yanmei Song ysong30 at asu.edu
Mon May 18 23:53:26 CEST 2009

Dear All:

I found when I changed the vdwtype from cut-off to shift, the density of the
system decrease significantly.All the other setting in the mdp file remain
unchanged. For example the density of TIP5P water drops to 962. Does it mean
I can not use the shift for vdwtype?

Yanmei Song
Ph.D. Candidate
Department of Chemical Engineering
Arizona State University
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