[gmx-users] grompp problem with cpp -- "does not match topology"
yli at hcg.bmb.uga.edu
yli at hcg.bmb.uga.edu
Wed Jun 30 18:40:09 CEST 2004
I encountered the problem when running grompp:
-------------------------------------
checking input for internal consistency...
...ling /usr/bin/cpp
: No such file or directory
cpp exit code: 32512
recd271.top > gromppdkR4fG'/top -DFLEX_SPC
' command is defined in the .mdp file
processing topology...
processing coordinates...
Fatal error: number of coordinates in coordinate file (recd271_genbox.gro,
27284)
does not match topology (recd271.top, 0)
---------------------------------------
I'm sure the cpp is installed in my Redhat LINUX 9.0 /usr/bin
My top file also looks fine. It contains 1 protein molecules and 8214
solvent molecules.
I have no idea how to fix this. I searched the mailing list but didn't
find a solution.
The mdp file is as follows:
title = EM_for_recd271
cpp = /usr/bin/cpp
define = -DFLEX_SPC
integrator = cg
nsteps = 10000
constraints = none
nstlist = 10
ns_type = grid
rlist = 1.0
rcoulomb = 1.0
rvdw = 1.0
emtol = 100
emstep = 0.01
nstcgsteep = 1000
I will appreciate any help from you.
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