[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
Xavier
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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