AMBER Archive (2009)

Subject: Re: [AMBER] Problem with loading PDB into tleap

Date: Wed Aug 19 2009 - 14:00:22 CDT

Actually, Ashish, I looked at your previous email again, and tried
what you suggested, after which Leap told me that there were 3 atoms
not in residue templates. After I fixed those in the same way and
tried to load the PDB again, Leap told me that there were now 127
atoms that don't match residue templates. I think I'm going to try
modifying the original pdb. The one that I've been trying to use is
from someone else's directory, so I'm not even sure if it has been run
through LeaP before.

Thank you so much for your help!

Quoting Ashish Runthala <>:

> attach the pdb for me to have a look at it. You are not visualizing
> the conformational details. I guess.
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