[gmx-users] Grompp error

Kamil Tamiola kamilt at ibmb.uni.wroc.pl
Sat May 1 18:58:02 CEST 2004


I'm trying to build a system with protein in membrane (POPE). I've 
downloaded modified version of force field parameters (of lipids) from 
Gromacs web site. Althought
I 've done it,  the grompp is not capable of creating topology file. It 
is still listing an error:

WARNING 1 [file "pope.itp", line 234]:
  No default Proper Dih. types, using zeroes
Cleaning up temporary file gromppZhZ85f
Fatal error: Invalid order for directive defaults, file 
""/usr/local/share/gromacs/top/ffgmx.itp"", line 4

I've also downloaded parameters from P. Tieleman's site - pope.itp and 
lipid.itp and after doing this,  excluded lipid.itp from the topology 
because of
new modified ffgmx.itp. Grompp is still crushing. I don't know what to 
do ...

Please help me ...!


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