subject:"\[ccp4bb\] Reg. PATCH\-ERR in CNS"

Re: [ccp4bb] Reg. PATCH-ERR in CNS

2010-10-19 Thread Herman . Schreuder

cp...@jiscmail.ac.uk] On Behalf Of Thangavelu K Sent: Tuesday, October 19, 2010 12:45 PM To: CCP4BB@JISCMAIL.AC.UK Subject: [ccp4bb] Reg. PATCH-ERR in CNS Dear CCP4BB We are having some problem in maintaining the covalent

[ccp4bb] Reg. PATCH-ERR in CNS

2010-10-19 Thread Thangavelu K

Dear CCP4BB We are having some problem in maintaining the covalent bond between the Cys "Sulphur" and the inhibitor molecule during the CNS refinement. We have used the below given patch statement in the inhibitor topology file and included the appropriate bond length angles and dihedral angl