Hi,
On Sun, May 5, 2013 at 6:46 AM, Jonathan Gough
<jonathan.d.gough.gmail.com> wrote:
> ntb=2, cut=12.0, ntp=1,igb=0,ntwprt = 3381,ioutfm = 1,
Is there any particular reason you are setting ntwprt? If your system
has more than 3381 atoms this will result in you generating a
trajectory that has a different # of atoms than your topology. Unless
you have a topology that matches your trajectory (i.e. one that is set
up for 3381 atoms) you cannot view it in VMD. You can use parmed or
cpptraj to generate a corresponding topology. However, unless space is
really a concern it's probably better to not set ntwprt at all.
-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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Received on Sun May 05 2013 - 09:30:23 PDT
