AMBER Archive (2003)

Subject: (no subject)

From: Narang Manpreet Kaur (preetdbs_at_iitr.ernet.in)
Date: Sat May 03 2003 - 00:02:20 CDT

 Dear AMBER users,
                     I have built the DNA using the parm94 forcefield and
the drug using the gaff and in order to make Drug - DNA complex I loaded
the DNA first and then in Xleap I imported the drug units and after
placing the desired position of drug I have saved its .lib and .pdb file
as a whole unit of the complex by a new name. The charges and the atom
types were also defined for the drug. Now when it is loaded again the
error at the xleap window appears for the drug molecules as created a new
atom named:(atom name) with in residue: (unit name)
not in residue template and in the graphical view the drug molecules are
shown as dotted ones.
 Can anyone tell me where I am wrong.
  Thanks in Advance

Manpreet Kaur Narang
Research Scholar
Deptt.Biotechnology
Indian Institute of Technology Roorkee (IITR)
Roorkee, 247 667 India