Hi,
please look at the ADD_RESTRAINTS command. With that one you can add your NMR distance restraints or any kind of the 31 available other restraint types. The parameter format is discussed in the manual "Specification of restraints" in 2.5. Examples are given in the command discussion of ADD_restraints. Also please look at Freq. Asked question in the manual: example 8,9,10,11.
best wishes
Andras
chunhua yuan wrote: > > Dear MODELLER users: > > I wonder whether anyone have tried to incoporate external > constraints such as those from NMR in modeling. > > I have some NMR constraints derived from NOE and want to > incorporate them into molecular dynamics step, but have no idea how to > get start, such as the format (page 72 manual) and the command in TOP > file. By the way, I have got the model using "fully automated > comparative modeling." > > Thanks for any comments. > > Best regards, > > Chunhua Yuan