Re: AMBER: how to calculate rmsd for non hydrogen at oms?

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From: Viktor Hornak <hornak.csb.sunysb.edu>
Date: Tue, 03 Oct 2006 12:51:53 -0400

yxiong99 wrote:
> Dear sir,
> I want to use ptraj to calculate rmsd for all the non-hydrogen
> atoms(i.e. all the heavy atoms). I tried many times such as:
> :1-610 & .!H=
> :1-610&.!H=
> !:1-610.H=
> But I still failed. Could you please give me some clue for this ?
try :1-610 & !.H=

Cheers,
-Viktor

-- 
Viktor Hornak
SUNY at Stony Brook
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Received on Wed Oct 04 2006 - 06:07:20 PDT