Hi Mark. Thanks a lot.
I'm already trying to find some clue in the manual. Anyway, what sort of extra information could be usefull? Thanks a lot again! ;) Jones On 7/26/07, Mark Abraham <[EMAIL PROTECTED]> wrote: > > Jones de Andrade wrote: > > Hi all. > > > > I'm trying to implement a samll RB-potential for some molecules I'm > > working with. I choosen to go following the files from opls-aa force > > field included with gromacs. Unfortunatelly, I get this error: > > > > "No default Proper Dih. types, using zeroes" > > > > Which is quite strange, as the error latelly refers to the following > lines: > > > > CT CT CT F 3 0.65084 1.95253 0.00000 -2.60338 > > 0.00000 0.00000 > > F CT CT F 3 5.02080 5.02080 0.00000 0.00000 > > 0.00000 0.00000 > > > > And, for a final point that makes my doubt, I don't see any difference > > between this lines and this ones from ffoplsaabon.itp from gromacs 3.3.1 > > itself: > > > > CA CT CT NC 3 5.77183 -2.67148 0.95814 > > -4.05848 0.00000 0.00000 ; > > CA CT CT NT 3 3.33465 -1.55226 2.82001 > > -4.60240 0.00000 0.00000 > > > > Could anyone give me some help on this issue, please? > > I guess that you've mangled some format, either in your modifications to > the .itp file or your .top file. Read the relevant parts of Chapter 5 > closely and compare with what you've done. We can't tell what the > problem is from the information you've provided so far. > > Mark > _______________________________________________ > gmx-users mailing list gmx-users@gromacs.org > http://www.gromacs.org/mailman/listinfo/gmx-users > Please search the archive at http://www.gromacs.org/search before posting! > Please don't post (un)subscribe requests to the list. Use the > www interface or send it to [EMAIL PROTECTED] > Can't post? Read http://www.gromacs.org/mailing_lists/users.php >
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