AMBER Archive (2005)

Subject: Re: AMBER: ptraj-acceptor mask format

From: Peter Gannett (pgannett_at_hsc.wvu.edu)
Date: Wed Jul 27 2005 - 15:54:50 CDT

Tom:
 
Thanks, your commands basically work. I would only comment that if
anyone else is going to try this, the look out for prolines. There are
four in my protein and at each proline, the one-to-one correspondence
between N and H breaks down. But, I could break it up into five parts
and with this change, things work just fine.
 
Pete

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