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 :-)
Mark
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