Dear Jianyin,
I have attached 3 files: prmtop.nowater, ptraj_heavy.in and
gacc_A-form.pdb. I want to mask the atoms of
"(:1-4.C1',C2',C3',C4',C5',O4',O5',O3',P) | (:1,2.N9,C8,C4) |
(:3,4.N1,C2,C6)" in ptraj input file, but I am not sure if I can do that.
Thanks in advance for your help.
Best,
On Thu, 10 Jul 2008, Jianyin Shao wrote:
> Hi, Ilyas,
>
> Would you mind sending me your prmtop file and crd file so I can take a
> look. Ptraj uses a separate routine, other than the ambmask, to parse atom
> masks. However, we try to match the specification described in the ambmask
> manual.
>
> Thanks,
>
> Jianyin
>
--
Ilyas Yildirim
---------------------------------------------------------------
= Department of Physics - =
= University of Rochester - =
= 585-275-6766 (office) - 585-267-5644 (home) =
= http://www.pas.rochester.edu/~yildirim/ =
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Received on Sun Jul 13 2008 - 06:07:51 PDT
