[gmx-users] grompp , lipid parameters, error

Xavier Periole Xavier.Periole at physbio.mssm.edu
Thu Dec 5 12:19:30 CET 2002

now I remember that I had to put a ";" before the commentaries
at the end of the line, example :

   LNL    14.0067    0.000  A 3.35300e-03 3.95100e-06 ; Nitrogen, OPLS
                         - here
if not I had the program was giving a mistake, and probably the same as
you are having, I don't remember


On Thursday, December 5, 2002, at 02:04  pm, Senthil Kandasamy wrote:

> yes, I defined the atomtypes in the ffgmx.atp file. However, their 
> presence or absence  in the ffgmx.atp does not seem to matter. It gives 
> the same error.
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