From: Shenoy, Sukesh (sukeshshenoy_at_neo.tamu.edu)
Date: Wed Sep 20 2006 - 13:44:12 CDT
I need to convert the force constants given in gaussian to use it in NAMD.
1) Can anybody tell me what units of force constants given in the gaussian
2) How to convert the force constants from gaussian to use in NAMD i.e.
kcal/mol/A02 or kcal/mol/rad2 for bonds and angles respectively.
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