Hi,
On Mon, Jan 26, 2015 at 12:45 PM, Benjamin D Madej <bmadej.ucsd.edu> wrote:
> - There is a workaround to *write* a Lipid14 PDB file from Leap. First, save an Amber prmtop and inpcrd with "saveamberparm", and then use cpptraj to convert to a PDB with "trajin" and "trajout".
Note that you can also convert directly from Amber restart to PDB with
cpptraj from the command line, e.g.:
cpptraj -p prmtop.parm7 -y restart.rst7 -x output.pdb
-Dan
--
-------------------------
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 Mon Jan 26 2015 - 12:00:03 PST
