AMBER Archive (2007)

Subject: Re: AMBER: Problem related simulation of dimer

From: janavi raghavan (genie1080_at_yahoo.co.in)
Date: Thu Mar 15 2007 - 11:28:32 CST

i am sorry that was a reply for a different question so please ignore my above post
  sorry

janavi raghavan <genie1080_at_yahoo.co.in> wrote:
    thank you for the reply but i just have one more doubt
   
   how is the solvateShell command generated structure further used in simulation without letting the water evaporate?
  

"David A. Case" <case_at_scripps.edu> wrote:
  On Thu, Mar 15, 2007, Abhilash wrote:

> I had this same problem sometime back. Include blank spaces after the
> 'TER' card and also make a whole new line with empty spaces after the
> 'TER' card. I don't know how this works but it seemed to do the trick
> for me. I think it is a minor bug in the code or something.

Please see bugfix.19 for Amber 9 at the Amber web site.

...dac

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