Hello, We are trying to incorporate multiple dipolar coupling constraints into our structure calculations using xplor-nih. We have a sample input file for xplor-nih that has a few force constants (CACO, NCO, HNC, CH) that appear to be scaled relative to the N,NH force constant (for example, $k_sani_CACO = 0.035*$ksani), but we are unclear about where these force constant estimates come from, and how to estimate the missing ones (in particular, HNCA). Any help in this regard would be most appreciated.
Thanks, Adrienne Loh Associate Professor Chemistry Department University of Wisconsin - La Crosse La Crosse, WI 54601 -------------- next part -------------- A non-text attachment was scrubbed... Name: winmail.dat Type: application/ms-tnef Size: 2574 bytes Desc: not available Url : http://dcb.cit.nih.gov/pipermail/xplor-nih/attachments/20030714/ea07be15/winmail.bin
