[gmx-users] -inf potential with TPIC

Rafael I. Silverman y de la Vega rsilverm at ucsc.edu
Tue Jun 10 00:41:50 CEST 2014


Hi all, I am having a problem with -inf mu coming out of TPIC calculations.
Anyone have some suggestions on how to avoid this? Tabulated potentials? Or
can I modify the source code to reject the absurd values that cause this? I
read a few old discussions on this, I didnt see much on how to handle this.


More information about the gromacs.org_gmx-users mailing list