[gmx-users] Mailing list and multiplicity

[Peyman Yamin]

Dear GMXers,

Is there still any way to search the mailing list archive in the new
hypnotizing web site?
Another question I would have first looked up in the mailing list, if
I could, is if gromacs can account for torsions with a zero
multiplicity. In the end it's just a constant in the formula and may
sometimes need to be set to zero (say Kukol and Martinez-Seara). I'm
trying to use Kukol Lipids but get a Fatal Error :-S
Value of 'multiplicity' in Proper Dih. is 0, which is smaller than the
minimum of 1

This seems to be caused by some lines in the lipid's .itp file of
popc, which read something like this:

[ dihedrals ]
;  ai    aj    ak    al funct   phi0     cp     mult
..
..
   22    23    24    25     1    90    -5.685     0
..
..

Thanks,
Cheers,
Peyman


--
Peyman Yamin
Computational Structural Biology Group
Institut fuer Strukturbiologie und Biophysik (ISB)
ISB-3: Strukturbiochemie
Forschungszentrum Juelich
D-52425 Juelich
Tel:    (49)-2461-61-4230
Fax:    (49)-2461-61-2023


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