[gmx-users] Minimization problem
marcelodepolo at gmail.com
Wed Jan 16 18:11:39 CET 2013
I appreciate your answer, but my question was about the Warning error. The
convergence value was set ok. The minimization do not go further because
*"WARNING: there may be something wrong with energy file prt_cg.edr
Found: step=-1, nre=36, nblock=0, time=-1.
Trying to skip frame expect a crash though"*
Anyone knows about this particular error message?
Marcelo Depólo Polêto
Molecular Animal Infectology Laboratory - LIMA
Department of Biochemistry and Molecular Biology
Universidade Federal de Viçosa - UFV - Brazil
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