From: Fangqiang Zhu (fzhu_at_ks.uiuc.edu)
Date: Thu Nov 27 2003 - 23:47:41 CST
NAMD can read parameter files in two formats: the X-PLOR format and the
By default, NAMD assumes that X-PLOR format is used. However, currently most
(e.g., those downloaded from Dr. MacKerell's web site) are in the CHARMM
format. I guess your
file is also in the CHARMM format, so you should tell NAMD about that, by
adding the statement
"paraTypeCharmm on" in your conf. file.
Hua Wong wrote:
> Can someone give me a hint about this error message?
> Charm++ fatal error:
> FATAL ERROR: UNKNOWN PARAMETER IN XPLOR PARAMETER FILE par_all22_prot.inp
> LINE=**>>>> CHARMM22 All-Hydrogen Parameter File for Proteins <<<<<<<<<<*
> Does it means the par_all22prot.inp have to be modified in order to be
> used under namd2 ?
> Wong Hua
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