[gmx-users] How to use ambconv package...
kim at qtp.ufl.edu
Wed Jun 16 18:14:43 CEST 2004
I am a beginner to learn Gromacs...
I am trying to convert Amber parameter file to Gromacs using ambconv package.
But I have some problem and I think this is my stupid problem. Would you tell me
how to use ambconv?
I put the script file (filename is a) like
# common name for file generation
ambconv -v \
-at ala.atop \
-gt ala.top \
-rst ala.rst \
and then I type
I got the following errors.
Too few command line arguments!AMBCONV v1.0
AMBER .top : ala.atop
GROMACS .top : ala.top
AMBER .rst : ala.rst
GROMACS .gro : ala.gro
Error: AMBER TOP: too few parameters on second line: Success
Error: AMBER TOP: too few parameters on third line: Success
Error: AMBER TOP: too few parameters on fourth line: Success
Error: EOF while reading from AMBER TOP file: Success
./a: line 10: 14215 Segmentation fault (core dumped) ambconv -v -at
ala.atop -gt ala.top -rst ala.rst -gro ala.gro
I think I made stupid error when I run the script but I don't know why.
Do I need to specify input and output filename when I run script or something
Thank you for your help in advance.
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