[gmx-users] Re: lipid.itp and grompp

[David van der Spoel]

On Mon, 8 Apr 2002, Thad Harroun wrote:

>The best solution is to merge all [*types] sections under one [defualts]
>section.
This is the safe option. As pointed out before you should have max 1 of 
each nonbonded, atomtypes and pairtypes.

Grompp apparently is too permissive on this. In the GROMACS 4.0 this will 
be unambiguously resolved (because there will be no grompp anymore...)

Groeten, David.
________________________________________________________________________
Dr. David van der Spoel, 	Biomedical center, Dept. of Biochemistry
Husargatan 3, Box 576,  	75123 Uppsala, Sweden
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spoel at xray.bmc.uu.se	spoel at gromacs.org   http://zorn.bmc.uu.se/~spoel
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