[gmx-users] mdrun on GROMACS 3.3.1

[francesca vitalini]

Hallo GROMACS users!
I'm trying to run a simple md script after running an energy minimization
script on my system and I'm getting a wired error message

Reading file dynamin_dimer_PR1.tpr, VERSION 3.3.1 (single precision)
Loaded with Money

-------------------------------------------------------
Program mdrun, VERSION 3.3.1
Source code file: gmxfio.c, line: 706

Can not open file:
coarse.xtc


it is strange as the coarse.xtc file should be created by running the mdrun
command.

that is my submition command line

$MYGROMACSPATH/bin/mdrun -v  -s dynamin_dimer_PR1.tpr  -o
dynamin_dimer_PR1.trr  -cpo dynamin_dimer_PR1.cpt -c dynamin_dimer_PR1.gro

the .tpr file had been previously created by grompp

$MYGROMACSPATH/bin/grompp -v -f pr1.mdp -c dynamin_dimer_EM_solvated.gro -p
dynamin_dimer_fg.top -o dynamin_dimer_PR1.tpr

and the .mdp file I'm using is

cpp                 =  /lib/cpp
constraints         =  all-bonds
integrator          =  md
tinit               =  0.0
dt                  =  0.002
nsteps              =  40000
nstcomm             =  0
nstxout             =  10000
nstvout             =  10000
nstfout             =  10000
nstlog              =  10000
nstenergy           =  100
nstxtcout           =  100
xtc_precision       =  1000
nstlist             =  10
energygrps          =  Protein
ns_type             =  grid
rlist               =  0.9
coulombtype         =  Generalized-Reaction-Field
epsilon_rf           = 62
rcoulomb            =  1.5
rvdw                =  1.0

;Tcoupl              =  nose-hoover
;tc-grps             =  Protein
;ref_t               =  300

nstxtcout           =  100
xtc_precision       =  1000
nstlist             =  10
energygrps          =  Protein
ns_type             =  grid
rlist               =  0.9
coulombtype         =  Generalized-Reaction-Field
epsilon_rf           = 62
rcoulomb            =  1.5
rvdw                =  1.0

;Tcoupl              =  nose-hoover
;tc-grps             =  Protein
;ref_t               =  300
;tau_t               =  0.1

; Temperature coupling
tcoupl                   = Berendsen            ; Couple temperature to
external heat bath according to Berendsen method
tc-grps                  = Protein  Non-Protein ; Use separate heat baths
for Protein and Non-Protein groups
tau_t                    = 0.1      0.1         ; Coupling time constant,
controlling strength of coupling
ref_t                    = 200      200         ; Temperature of heat bat

I have also tried to change the .mdp file but I get the same error message.
If I try to use a mdrun from a different version of GROMACS it complains
again as it is not the same as grompp.

Do you have any tips for solving this problem?

Thanks

Francesca
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