Dear all,
I am trying to do Energy Minimization of a protein.But it gives the following
error:
ERROR: invalid enum 'cut-��off' for variable vdw-type, using
'Cut-off'
Next time use one of: 'Cut-off' 'Switch' 'Shift' 'User' 'Encad-shift'
Back Off! I just backed up mdout.mdp to ./#mdout.mdp.1#
checking input for internal consistency...
calling /usr/bin/cpp �� the c pre��processor...
cpp: too many input files
cpp exit code: 256
Tried to execute: '/usr/bin/cpp �� the c
pre��processor -I/usr/share/gromacs/top -I/usr/share/gromacs/top
��-DPOSRES_SPC 2a5f.top > gromppGMSvC5'
The '/usr/bin/cpp �� the c pre��processor' command
is defined in the .mdp file
processing topology...
processing coordinates...
-------------------------------------------------------
Program grompp, VERSION 3.3.1
Source code file: grompp.c, line: 448
Fatal error:
number of coordinates in coordinate file (2a5f_b4ion.gro, 23644)
does not match topology (2a5f.top, 0)
What Should I do and how can I remove the input files, as mentioned above that
cpp: too many input files.
Regards,
SYED LAL BADSHAH
M.Phil Scholar
NCE in Physical Chemistry,
University of Peshawar.
NWFP,Pakistan.
Cell # 03349060632.
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