[gmx-users] Regarding all angle constraint and hybridisation problem
jaswalradhika at yahoo.co.in
Tue Jul 24 09:27:28 CEST 2012
Sorry for missing the subject in previous mail and adding new content in the old mail.
Thanks Sir, for your suggestions. Changing the parameters in PRODRG generated .itp file just solved the problem. The bond lengths and hybridisation remained the same.
The problem was there. Read your reference too.
More information about the gromacs.org_gmx-users