|
|||||||||||||||||||||||||||||||||
AMBER Archive (2009)Subject: Re: [AMBER] Problem with loading PDB into tleap
From: Ashish Runthala (ashish.runthala_at_gmail.com)
hello Kamali,
You need to remove these protons to stabilize the protein confirmation.
Any normal amino acid start from nitrogen (N) and end on CG or CD
For your simplicity, remember that the following atoms are generally
All these are erroneous. Generally, such protons are marked as
Remove such entries and protonate using leap, if you wish before doing
Ashish
_______________________________________________
| |||||||||||||||||||||||||||||||||
|