Dear all
I used a pdb file without hydrogens to do MD
simulations. after loading the pdb file hydrogens are
added by leap programs. To do minimization before
starting MD, is it correct to set NTC=2 while in this
case bonds involving hydrogen are constrained?
Thanks a lot
Majid Erfani Moghaddam
__________________________________
Do you Yahoo!?
Yahoo! SiteBuilder - Free, easy-to-use web site design software
http://.yahoo.com
-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber.scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo.scripps.edu
Received on Sat Aug 16 2003 - 09:53:01 PDT
