On Tue, Mar 25, 2008, snoze pa wrote:
> I am using amber heme parameter but getting some warning. Do you think i
> should take these warning seriously?
> thanks for your help.
> s
>
> > loadAmberParams /usr/local/amber9/benchmarks/hb/frcmod.hemall
> Loading parameters: /usr/local/amber9/benchmarks/hb/frcmod.hemall
> Reading force field modification type file (frcmod)
> Reading title:
> No mass defined for non-bond atom type: LO - skipping
> No mass defined for non-bond atom type: LC - skipping
> > loadAmberPrep /usr/local/amber9/benchmarks/hb/heme_all.in
> Loading Prep file: /usr/local/amber9/benchmarks/hb/heme_all.in
> (UNKNOWN ATOM TYPE: NO)
> (UNKNOWN ATOM TYPE: CX)
> (UNKNOWN ATOM TYPE: CX)
> (UNKNOWN ATOM TYPE: NO)
> (no charges read on atoms lines in deoxy Heme residue ALL ATOM, Yves
> names, Bayly-modified)
> Loaded UNIT: HEM
Well, you can test to see if you get the same prtmop file. The warnings above
look innocuous to me.
...dac
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Received on Fri Apr 18 2008 - 21:13:59 PDT
