Dear Dr. Daniel,
Yes, it worked well. So, ambpdb [ambpdb -p
test1_sol.prmtop < test_equil.rst > test_equil_rst.pdb ]and cpptraj
[cpptraj -i ptraj_input -p test1_sol.prmtop] produce the exactly same
output. In the case of ambpdb, the message "New format PARM file being
parsed" does not have any significant importance; I mean it could be safely
ignored.
Thank you for help,
Mahendra Thapa
University of Cincinnati
On Mon, Jul 30, 2012 at 1:43 PM, Thapa, Mahendra (thapamb) <
thapamb.mail.uc.edu> wrote:
>
>
>
> ________________________________________
> From: Daniel Roe
> Sent: Monday, July 30, 2012 11:43:04 AM (UTC-06:00) Central America
> To: AMBER Mailing List
> Subject: Re: [AMBER] problem in converting rst-file to pdb using cpptraj
>
> Hi,
>
> On Mon, Jul 30, 2012 at 10:32 AM, Mahendra B Thapa <thapamb.mail.uc.edu>
> wrote:
> > trajout test_equil_rst.pdb pdb nobox append
>
> If you try it without the 'append' keyword, does it work?
>
> -Dan
>
>
> --
> -------------------------
> Daniel R. Roe, PhD
> Department of Medicinal Chemistry
> University of Utah
> 30 South 2000 East, Room 201
> Salt Lake City, UT 84112-5820
> http://home.chpc.utah.edu/~cheatham/
> (801) 587-9652
> (801) 585-9119 (Fax)
>
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>
>
>
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Received on Wed Aug 01 2012 - 14:30:03 PDT
