[gmx-users] Chracter buffer size too small
Olaniyi Yusuff
okyusuff at hotmail.com
Mon Oct 12 17:41:31 CEST 2009
Dear gmx-users,
I am having problem with grompp during minimization of my
protein-solvent system
Please i want to know what the error message character buffer size too
small from grompp in the minimization stage means and what step is
needed to correct this error.
below is the .mdp file used,
define = -DFLEXIBLE
constraints = none
integrator = cg
dt = 0.002 ; ps !
nsteps = 500
nstlist = 10
ns_type = grid
rlist = 0.9
coulombtype = PME
rcoulomb = 0.9
vdwtype = cut-off
rvdw = 0.9
fourierspacing = 0.12
fourier_nx = 0
fourier_ny = 0
fourier_nz = 0
pme_order = 4
ewald_rtol = 1e-5
optimize_fft = yes
nergygrps = Protein SOL
energygrp_excl = Protein Protein Protein SOL
freezegrps = Protein
freezedim = Y Y Y
;
; Energy minimizing stuff
;
emtol = 100.0
emstep = 0.01
nstcgsteep = 1000
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