Custom Search
--- > CT-CT-N -C 1 0.50 180.0 -4. phi,psi,parm94 > CT-CT-N -C 1 0.15 180.0 -3. phi,psi,parm94 > CT-CT-N -C 1 0.53 0.0 1. phi,psi,parm94 ( the "<" lines are to be removed and replaced with ">" lines) jim On Fri, 26 Jan 2001, JUNMEI Wang wrote: > Hi, Warren, > I checked the origin files and I found that it is a type error of > parm99.dat in the web. It should be CT-CT-N-C, not C-CT-N-C. My old > versions of parm99.dat are all correct. This error was introduced recently > during the procedure of reorgnizing/revising the file. > The simulations on the paper are all fine. > As I know, the parm/leap program can wisely ignore redundant parameters > (the priority order is as the following: specific parameter in frcmod > > general parameter in frcmod >specific parameter in parm9x >general > parameter in parm9x). > I am sorry for this serious problem. > > Junmei > > > ----------------------------------------- > Junmei Wang, Ph.D. > Department of Pharmaceutical Chemistry, > University of California San Francisco, > San Francisco, CA 94143-0446 > Phone: (415)476-7900 (lab) > (415)681-7818 (home) > Fax: (415)502-1411 > Email: junmei_at_cgl.ucsf.edu > ----------------------------------------- > > > ---------------------------------------------------------------------------- James W. Caldwell (voice) 415-476-8603 Department of Pharmaceutical Chemistry (fax) 415-502-1411 Mail Stop 0446 (email) caldwell_at_heimdal.ucsf.edu 513 Parnassus Avenue (video) farbauti.compchem.ucsf.edu University of California (netmeeting) San Francisco, CA 94143-0446 ----------------------------------------------------------------------------Received on Fri Jan 26 2001 - 12:18:51 PST