Amit Choubey wrote:
Hi ,
I wish to save velocities and coordinates every step for my system. For
saving disk space i dont want to save water molecules. How can i do this ?
There is no such option for writing to .trr files, only .xtc files, which do not
contain velocities.
Implicit solvent might be an option, if appropriate for your system.
-Justin
Amit
--
========================================
Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
MILES-IGERT Trainee
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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