Re: CUDA-accelerated NAMD does not support NBFIX parameters [RESOLVED]

From: Héctor Urbina (
Date: Mon Sep 14 2009 - 07:24:35 CDT

OK, I changed the system to another without NBFIX parameters. Now I'm
getting huge energetic values, after 100 steps of minimization, the
output just says nan :(, but the NBFIX error message is not being
showed. The minimization of the same system using normal namd run
just fine.

Thanks Axel,


Hector Urbina S.

This archive was generated by hypermail 2.1.6 : Wed Feb 29 2012 - 15:53:16 CST