[gmx-users] (no subject)
zgliu at sohu.com
Wed Oct 30 14:28:39 CET 2002
I'm trying to dock a small molecule into a nuclear receptor with autodock3.0 and encounter a big problem.The whole process of docking is OK,however,when I check the conformations of small molecule in the result file(ligand.macro.dlg.pdb),I find all the C-P bonds are broken(other bonds are all right).I have repeated the task many times but the problem still exists.I wonder to know if anybody has also encountered this problem before,and how to solve it.
¡¡¡¡¡¡¡¡¡¡¡¡¡¡¡¡zgliu at sohu.com
-------------- next part --------------
A non-text attachment was scrubbed...
Size: 9519 bytes
Desc: not available
More information about the gromacs.org_gmx-users