[gmx-users] Fw:Re:gmx-users Digest, Vol 97, Issue 218

Mark Abraham Mark.Abraham at anu.edu.au
Wed May 30 11:31:27 CEST 2012

On 30/05/2012 7:24 PM, MD wrote:
> Yes, i try to get a surface tension of 69 dyn, but i can only get 65 
> at present.
> Yes, i tried some arbitrary choices. I do not know what is the correct 
> .mdp for me to get a surface tension of 69. May be for this version, 
> it does not include this function

Making arbitrary choices is a bad approach. When that fails, assuming 
that there's a limitation in the software that you are using is even worse.

Someone used a specific method to get the number someone claims you 
should be getting. You need to go and find out what that that method 
was. Yes, this is more work than assuming that GROMACS can't reproduce 
the method. Welcome to the jungle :-)

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