Re: [ccp4bb] parameter and topology files in CNS

2007-06-25 Thread Raji Edayathumangalam
Hi Jae, Try resetting the MAXJNT parameter (increase the set value). I had problems with MAXA and other parameters and I suspect your problem has the same solution. You might need root access for the same. Also, make sure that you are specifically asking to read the topology and parameter file

Re: [ccp4bb] parameter and topology files in CNS

2007-06-25 Thread William Scott
Try elbow.builder and phenix.refine in the phenix package. It will make your life much easier. Jae Hyun wrote: > Dear all, > > I have a decavanadate anion in my structure, and want to refine it. For > that, I got parameter and topology files from HIC-Up website, and used in > CNS. But, it gave t

[ccp4bb] parameter and topology files in CNS

2007-06-25 Thread Jae Hyun
Dear all, I have a decavanadate anion in my structure, and want to refine it. For that, I got parameter and topology files from HIC-Up website, and used in CNS. But, it gave the error message as follows: Program version= 1.1 File version= 1.1 Torsion Topology> Torsion Topology> fix gr