[gmx-users] Invalid directive dihherals with H

[Farid Sa'Adedin]

Dear David,

I'm afraid I cannot send you the itp file until Wednesday.  There is a
university holiday till then I wont have access to the full itp till then.  But
out of curiousity what does the error: Invalid directive dihedrals with H mean?
Any ideas?

Farid.


Quoting David van der Spoel <spoel at xray.bmc.uu.se>:


> Sorry this is still not enough information.
> Send the whole topology (I assume you don't have the "line 205" etc. in
> the file). You may also want to check whether you have weird invisible
> characters in your file.
>
>  >
> >[ dihedrals ]
> >; 13 proper types
> >;i, j, k, l, func
> > 1    12    13    14    3 line 205
> > 7     2     1     6    1 line 206
> > 7     2     3     4    1 line 207
> >12     1     6     5    3 line 208
> >15    20    16    19    3 line 209
> >15    14    29    31    1 line 210
> >19    16    12    13    3 line 211
> >19     7     2     3    3 line 212
> >20    16    12     1    3 line 213
> >20    16    19     7    3 line 214
> >20    15    14    29    3 line 215
> >29    31    36    35    3 line 216
> >29    14    13    12    3 line 217
> >
> >I hope you will be able to help me decipher the error message Invalid
directive dihedrals with H line 217.
> >
> >Farid.
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> --
> David.
> ________________________________________________________________________
> David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
> Dept. of Cell and Molecular Biology, Uppsala University.
> 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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