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.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.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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Received on Wed Oct 04 2006 - 06:07:21 PDT
