[CPMD-list] problem in MD run

[Rongjian Sa]

Dear everyone,

My question is the MD run in aqueous solution. Firstly, I want to run MD only 
to aqueous solution, then run MD to the whole systems secondly. So I wander
if is there any way to constraint part of the system in the MD run?

Thank you again!

Sincerely yours,
Rongjian Sa
-------------- next part --------------
An HTML attachment was scrubbed...
URL: http://cpmd.org/pipermail/cpmd-list/attachments/20030219/1785ab7b/attachment.html