On 4/13/13 11:07 PM, aixintiankong wrote:
Dear,
I have made a 75ns prodution MD, I want to extract frames from the
molecular dynamics simulations at regular intervals of 10ps and keep the file
as individual pdb file. i want get many individual pdb files.
colud anyone can tell me how to perform the command?
trjconv and some iteration or combination of -skip, -sep, and/or -dump will do
the trick.
-Justin
--
========================================
Justin A. Lemkul, Ph.D.
Research Scientist
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
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