s lal badshah wrote:
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'
your file is broken. maybe non-ascii characters.
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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David van der Spoel, Ph.D.
Molec. Biophys. group, Dept. of Cell & Molec. Biol., Uppsala University.
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