[gmx-users] grompp on 3.1.4

[Xu Yong]

hi, all

I have downloaded and installed gromacs 3.1.4. and now I do some work on lipid simulation.
I submit the same command but get different information when I run on gromacs3.1.4 and gromacs3.0.5

grompp -f pr.mdp -c popc128a.gro -p popc128a.top -o test.tpr

**************gromacs3.0.5
%waring :   Found a second defaults directive, file  " ./lipid.itp" , line 9
**************gromacs3.1.4
Warning: as of GMX v 2.0 unit of compressibility is truly 1/bar
Fatal error : Found a second defaults directive, file  " ./lipid.itp" , line 9
*************************
I have browse the homepage of Gromacs. in "changes and version history" pages I find some change from v 3.0 to v3.1.4  "change " pages say that:
*1. The topology parsing by grompp should now be foolproof, previously the results could be incorrect when the user added a second directive [ atomtypes ], [ nonbonded_params ] or [ pairtypes ] to the forcefield. 
*2. grompp now gives a fatal error when parameters definitions appear after [ moleculetype ] in the topology, in previous versions this could cause incorrect results. 
*3. In the topology additional [ atomtypes ] sections can now be used after [ nonbonded_params ] and [ pairtypes ] sections, in previous versions this could cause incorrect results. 
but I am still confused  with those imformation. anyone help me?

thank you in advance

Xu Yong

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