[gmx-users] Invalid directive dihherals with H
David van der Spoel
spoel at xray.bmc.uu.se
Sat May 21 21:59:31 CEST 2005
On Sat, 21 May 2005, Farid Sa'Adedin wrote:
>Here are the full list of dihedrals.
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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