[gmx-users] ffoplsaa.n2t missing file and other problems.
David van der Spoel
spoel at xray.bmc.uu.se
Tue Nov 28 16:43:33 CET 2006
Dmitriy Golubobsky wrote:
> Using x2top for preparing residue
> i've got the next problems
> 1.if i decide to use, for examlpe, OPL/AA ff
> i've got the next message
> Fatal error: Library file ffoplsaa.n2t not found in current dir nor in
> default d
> (You can set the directories to search with the GMXLIB path variable.)
> really, i've found only ffgmx.n2t file.
> 2. if i use gmx(ff=4) for generating topology and rpt file
> x2top -f test.pdb -scale 1.1 -name ICE -o test.top -r test.rtp
> the -top file is created, but, rtp-file is not created.
> Please, give an advice, where i'am mistaken.
The program in the current version of gromacs is not fully functional.
The CVS version is slightly better. You can therefore either do it
manually or try the CVS version, which will also require some manual
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://folding.bmc.uu.se
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