[gmx-users] Re: Too close water molecules
shakya_79 at yahoo.com
Tue Jan 6 17:05:02 CET 2004
The irons are part of Fe2S2 cluster and there are
total 36 RB values which need to be specified .
On Tue, 2004-01-06 at 15:51, saurabh shakya wrote:
> Would it be possible to specify the dihedrals
> involving the Fe as improper rather than RB ? would
> be same ?
Not the same. Maybe you could start by leaving the RB
How many are there? At least these:
Does the iron have more ligands?
Do you Yahoo!?
Yahoo! Hotjobs: Enter the "Signing Bonus" Sweepstakes
More information about the gromacs.org_gmx-users