Re: [phenixbb] NCS restraints with TLS

Hi Joe,

I am using NCS restraints with TLS. It seems that the NCS B-factor restraints are applied to the overall B-factor, rather than just the non-TLS part. Is this correct?

the total B-factor is: Btotal = Btls + Bcrystal + Batoms. The restraints, including NCS, are applied to Batoms only. The positive definiteness constraint is applied to Btotal only, and not to individual component of the above sum. Pavel.