Thank you!
________________________________
From: Daniel Roe <daniel.r.roe.gmail.com>
Sent: Tuesday, August 9, 2016 4:22:17 PM
To: AMBER Mailing List
Subject: Re: [AMBER] Converting rst to pdb
On Tue, Aug 9, 2016 at 3:01 PM, Corum, Katharine W
<katharine-corum.uiowa.edu> wrote:
> <http://ambermd.org/tutorials/basic/tutorial2/section4.htm>
> $AMBERHOME/bin/ambpdb -p cram.prmtop <min_qmmm.rst> min_qmmm.rst.pdb
> Error: Could not read restart atoms/time.
The file redirect '<' only works with ASCII restarts - if this is a
NetCDF restart use the '-c' flag instead:
$AMBERHOME/bin/ambpdb -p cram.prmtop -c min_qmmm.rst > min_qmmm.rst.pdb
-Dan
>
> Next I tried the cpptraj command and also received an error.
>
> $AMBERHOME/bin/cpptraj -p cram.prmtop -y min_qmmm.rst -x min_qmmm.rst.pdb
> /home/katie/Documents/software/amber/amber16/bin/cpptraj: error while loading shared libraries: libsander.so: cannot open shared object file: No such file or directory
>
> After seeing these commands in many archived emailed I am not sure why I can't get it to work. Thank you!
>
> Katie
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
--
-------------------------
Daniel R. Roe, PhD
Department of Medicinal Chemistry
University of Utah
30 South 2000 East, Room 307
Salt Lake City, UT 84112-5820
http://home.chpc.utah.edu/~cheatham/
(801) 587-9652
(801) 585-6208 (Fax)
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Received on Tue Aug 09 2016 - 16:30:03 PDT
