Dear Sir/Madam,
Could you mind to let me know if I could fix some of the hydrogen bond form
during a implicit solvent MD calculation?
I tried to fix the involved atoms as group and references to the inpcrd
file. However, the relative positions for the atoms are also fixed, while I
could like to only keep those hydrogen bonds unbreak but relax the
structures so that their relative positions could changes.
If yes, how can I do it? Please kindly advice.
Best regards,
Annie
_________________________________________________________________
No masks required! Use MSN Messenger to chat with friends and family.
http://go.msnserver.com/HK/25382.asp
-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber.scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo.scripps.edu
Received on Sun Dec 03 2006 - 06:07:47 PST
