[gmx-users] mdp options to generate xtc file but not trr file

Metallo Devasto metallodevasto at gmail.com
Tue Apr 26 23:11:41 CEST 2016


How can i set mdp option to have a simulation that generate only the xtc
file but without the trr file? ( i don't need trr and it has 2 times the
size of the xtc file)

my mdp option now are

nstxout = 1000
nstvout = 1000
nstfout = 0
nstlog = 100
nstenergy = 100
nstxtcout = 100
nstcalcenergy = -1
xtcprecision = 10
xtc-grps = system
energygrps = Protein Membrane Solvent


i cant figure out how to do it, pls help :(


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