AMBER Archive (2006)

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

From: JunJun Liu (ljjlp03_at_gmail.com)
Date: Tue Oct 03 2006 - 14:10:25 CDT

I had tried :1-610 & !@H=, the program displayed "no atom selection".
I also tried :1-610&!@H=, the program only select non-hydrogen atoms of
610 residue.

On Tue, 03 Oct 2006 12:51:53 -0400, Viktor Hornak <hornak_at_csb.sunysb.edu>
wrote:

> 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
> 

-- 
JunJun Liu

College of Chemistry
Central China Normal University
WuHan   430079
P.R. China
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