On 8/3/12 11:01 AM, bhavaniprasad vipperla wrote:
Hi
I tried to run the minimization step . Minimization went on well but am not
confout.gro
Is there any specific command for obtaining an confout.gro while running em.
If mdrun did not write an output .gro file, then it did not complete. Check the
log file; the run probably crashed. Note that if you have used the -deffnm
flag, the name of the file is not going to be confout.gro but will be whatever
you've defined.
-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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