[gmx-users] Huge .trr file
Francesco Tordini
tordini at tiscalinet.it
Tue Apr 1 10:35:01 CEST 2003
Dear all,
i'm performing a long dynamics run (~5 ns) on an asymmetric membrane
model.
The .trr file is growing very quickly, and now is 14 GB long at 4 ns!
I'm hoping it will finish well, but my hard disk is nearly full.
Maybe it's a trivial question, but anyone knows how to reduce the .trr
output in a sensible manner (for future calculations, obviously)? My
actual mdp file is:
integrator = md
tinit = 0
dt = 0.001
nsteps = 5500000
nstcomm = 1
nstxout = 100
nstvout = 100
nstfout = 0
nstlog = 100
nstenergy = 250
nstxtcout = 1000
xtc-precision = 1000
xtc_grps = DPPC DPPE DPPS SOL NA
Cheers
Francesco
------------------------------------------
Dr. Francesco Tordini
Università di Milano-Bicocca
Dipartimento di Biotecnologie e Bioscienze
P.zza della Scienza, 2 - 20126 Milano
Tel. 0264483473 / Fax. 0264483478
cell. 3282794451
email tordini at tiscalinet.it
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