LD with explicit water molecules

From: ramya narasimhan (ramya_jln_at_yahoo.co.in)
Date: Wed Feb 18 2009 - 22:14:40 CST

Hi All,
         I have seen the papers where comparison is made between LD in vacuo, LD with implicit solvent and MD with explicit water molecules. Can we do LD with explicit solvent as it is basically adding frictional terms with MD calculation ?

Thanks for any help.

This archive was generated by hypermail 2.1.6 : Wed Feb 29 2012 - 15:52:22 CST