AMBER Archive (2006)

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

From: Viktor Hornak (hornak_at_csb.sunysb.edu)
Date: Tue Oct 03 2006 - 11:51:53 CDT

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_at_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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