[gmx-users] Re: number of coordinates in coordinate file (system_inflated.gro, 9331) number of coordinates in coordinate file does not match topology
jalemkul at vt.edu
Fri Aug 3 17:03:16 CEST 2012
On 8/3/12 11:01 AM, bhavaniprasad vipperla wrote:
> 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
Justin A. Lemkul, Ph.D.
Department of Biochemistry
jalemkul[at]vt.edu | (540) 231-9080
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