AMBER Archive (2009)

Subject: 回复： [AMBER] Error in MM PBSA

From: 廖青华 (fantastic_0919_at_yahoo.com.cn)
Date: Tue Jun 02 2009 - 09:30:47 CDT

Hi, Prof. Case,
I have seen the error delivered by Mr Vikas Sharma a short time ago, and also your solution. My question is that can I patch bugfix.21 of amber 10 to amber 9, because we met the same problem when using mm_pbsa of amber 9. Appreciate for your reply!

Best wishes,

Qinghua Liao
 fantastic_0919_at_yahoo.com.cn or fantasticqhl_at_yahoo.com

________________________________
发件人： David A. Case <case_at_biomaps.rutgers.edu>
收件人： AMBER Mailing List <amber_at_ambermd.org>
已发送： 2009/6/2(周二), 下午10:05:09
主题： Re: [AMBER] Error in MM PBSA

On Tue, Jun 02, 2009, Vikas Sharma wrote:

>  molsurf: molsurf.c:1055: is_buried: Assertion
> `sarg1 >= 0.0' failed.

See http://archive.ambermd.org/200811/0296.html

(You could get this by searchig for "is_buried" at the Amber mailing list
archive.)  This is also now posted as bugfix.21 at http://ambermd.org.

...dac

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