[gmx-users] lipid.itp and GROMACS versions

David spoel at xray.bmc.uu.se
Thu Sep 4 19:32:01 CEST 2003


On Thu, 2003-09-04 at 18:37, Xavier Periole wrote:
> You have a problem of douible definition of the lipid atoms. It is likely
> that in GROMACS3.1.4 the lipid.itp is already included in the
> topology/parameter
or the other way around: force field already included in lipid.itp file.
> files. You can add the -maxwarn 1000 (for example) to see how far this
> difference goes.
> 
> 
> XAvier
> 
> 
> 
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-- 
Groeten, David.
________________________________________________________________________
Dr. David van der Spoel, 	Dept. of Cell and Molecular Biology
Husargatan 3, Box 596,  	75124 Uppsala, Sweden
phone:	46 18 471 4205		fax: 46 18 511 755
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://xray.bmc.uu.se/~spoel
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