[gmx-users] How to use ambconv package...

Seonah Kim kim at qtp.ufl.edu
Wed Jun 16 18:14:43 CEST 2004


Hello,

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 

#!/bin/bash

# common name for file generation

ambconv -v \
       -at ala.atop \
       -gt ala.top \
       -rst ala.rst \
       -gro ala.gro

and then I type
prompt>./a

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 
else?

Thank you for your help in advance.

Seonah Kim.






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