It works fine, thanks! John Vakonakis
> > > Alex> I think the reason is that he did not specify the chain IDs and by > Alex> default they are empty, so it does not find anything to work on. I > Alex> have a statement below from one of my projects that has HBs between > Alex> two segments, he will just have to add "segm" lines. > Alex> > Alex> > Alex> > Alex> hbdb > Alex> kdir = 0.30 ! directional (3d) dforce const > Alex> klin = 0.10 ! linearity (E(ohn|oh) force const > Alex> nseg = 2 > Alex> nmin = 141 ! min res # to include in the HBDB > Alex> nmax = 257 ! max res # to include in the HBDB > Alex> segm = C > Alex> nmin = 141 ! min res # to include in the HBDB > Alex> nmax = 257 ! max res # to include in the HBDB > Alex> segm = D > Alex> ohcut = 2.60 > Alex> coh1cut = 100.0 > Alex> coh2cut = 100.0 > Alex> ohncut = 100.0 > Alex> updfrq = 1000 > Alex> prnfrq = 1000 > Alex> freemode = 1 ! free mod flag (on) > Alex> fixedmode = 0 ! fixed list mode flag (off) > Alex> mfdir = 0 > Alex> mflin = 0 > Alex> kmfd = 0.0 > Alex> kmfl = 0.0 > Alex> renf = 2.3d0 > Alex> kenf = 30.0d0 > Alex> @hbdb_files.dat ! location of the PMF files > Alex> end > Alex> > -----BEGIN PGP SIGNATURE----- > Version: GnuPG v1.4.6 (GNU/Linux) > Comment: Processed by Mailcrypt 3.5.8+ <http://mailcrypt.sourceforge.net/> > > iD8DBQFGjRQGPK2zrJwS/lYRAgkLAJ4yCNIoLhcl1FQ4+76Orj6wIMw4EwCePw6h > n1XEAWtF2MmriAlLygScB4U= > =Pjmm > -----END PGP SIGNATURE----- > _______________________________________________ Xplor-nih mailing list [email protected] http://dcb.cit.nih.gov/mailman/listinfo/xplor-nih
