Jack Shultz wrote:
I am trying to run g_dist
c:\ProgramData\BOINC\slots\0>g_dist.exe -f md.xtc -s md.tpr
-------------------------------------------------------
Program g_dist, VERSION 4.0.5
Source code file: futil.c, line: 330
File input/output error:
index.ndx
-------------------------------------------------------
Thanx for Using GROMACS - Have a Nice Day
so I tried mdrun with the -dn option
mdrun.exe -dn -v -x -deffnm md
It failed to generate an index file. What am I doing wrong?
You're using the wrong tool; make_ndx is used to make index groups (hence the
name). The -dn option of mdrun is some special function, apparently related to
dipoles.
-Justin
--
========================================
Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
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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