On 10/04/2012 09:22 AM, rama david wrote:
Yes -x option ( please see mdrun -h )
You have to specify it as the output is optiona l
if you use -deffnm all the output posses the same name ( generally I do
these one )
set the mdp file option properly to get appropriate saving for xtc
( see
the manual for these one )
Hi
thanks for kind comments. here is what I found
http://manual.gromacs.org/current/online/mdp_opt.html#out
shall I simple turn on the nsxtcout and xtc_precision option on like:
; Parameters controlling output writing
nstxout = 5000 ; Write coordinates to output file
nstvout = 5000 ; Write velocities to output file
nstenergy = 1000 ; Write energies to output .edr file
nstlog = 1000 ; Write output to .log file
nsxtcout = 5000
xtc_precision = 1000
THX
Albert
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