[ccp4bb] questions about CNS

2007-07-18 Thread m zhang
Hi everyone, I have some basic questions about CNS. First, I am wondering if there is anywhere I can set my initial B-factor during my early refinement. When I generate my initial model in generate.inp, I can set the B-factore. However, after I did the rigid.inp and anneal.inp, the B-factor

Re: [ccp4bb] questions about CNS

2007-07-18 Thread Raji Edayathumangalam
Well, I guess you can mess with the overall B-factor correction in the anneal.inp and rigid.inp files and say, turn them off. NOT a good way to proceed. That is just to let you know where to find it. If you haven't already done so, do the following after the simulated annealing step. After