NAMD energy minimization

From: Siva Dasetty (
Date: Sun Aug 31 2014 - 14:30:56 CDT

Dear All,

I am doing an energy minimization of graphene in implicit solvent by fixing
all graphene atoms using fixedAtoms=on in NAMD version 2.10b1. As expected
all the energies are 0 in my output log file as I excluded all bonded and
non bonded interactions (just a test run), however temp and tempavg seems
to have this huge number “999999999.99999”. Can someone please explain this?


This archive was generated by hypermail 2.1.6 : Wed Dec 31 2014 - 23:22:48 CST