AMBER Archive (2009)

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

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• In reply to: Ashish Runthala: "Re: [AMBER] Problem with loading PDB into tleap"
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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!

Kamali
Quoting Ashish Runthala <ashish.runthala_at_gmail.com>:

> attach the pdb for me to have a look at it. You are not visualizing
> the conformational details. I guess.
>
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• Previous message: Keith Van Nostrand: "Re: [AMBER] Distance restraint and periodic boundary conditions"
• In reply to: Ashish Runthala: "Re: [AMBER] Problem with loading PDB into tleap"
• Next in thread: E.M.: "[AMBER] angle with ptraj"
• Reply: E.M.: "[AMBER] angle with ptraj"
• Messages sorted by: [ date ] [ thread ] [ subject ] [ author ]