Might I suggest you actually state what you don't understand. Otherwise you are leaving an open ended question for people to respond to, which they are unlikely to do so. The more specific and more detail you put into your question, the more likely you are to get some useful assistance.
"table-extension = 20 ; (nm) !IMPORTANT! Set this so that rvdw + table-extension equals half of the box's longest diagonal." Are you aware of the situation to which that sample .mdp file is used? Is that situation applicable for what you are doing? Catch ya, Dr. Dallas Warren Medicinal Chemistry and Drug Action Monash Institute of Pharmaceutical Sciences, Monash University 381 Royal Parade, Parkville VIC 3010 dallas.war...@monash.edu +61 3 9903 9304 --------------------------------- When the only tool you own is a hammer, every problem begins to resemble a nail. From: gmx-users-boun...@gromacs.org [mailto:gmx-users-boun...@gromacs.org] On Behalf Of Ravi Kumar Venkatraman Sent: Saturday, 5 November 2011 8:13 PM To: gmx-users@gromacs.org Subject: [gmx-users] Regarding Table Extension Dear All, This is the site where they have mentioned like the sum of the longest diagnol of the box + rlist = table extension http://smog.ucsd.edu/MDP_sample.html Further whatever that was mentioned in the manual I could not understand. I kindly request any one of you to explain me the same. Thank you With Regards, Ravi Kumar Venkatraman, IPC Dept., IISc, Bangalore, INDIA. +91-9686933963.
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