[gmx-users] Re: Using Morse potentials with ENCAD force field

Using the parameters listed earlier I equalized my system after trying to place the oxygen and nitrogen molecules evenly throughout my system. The result showed the nitrogen molecules fairly even throughout the system but all the oxygen molecules on one side. Any ideas on why the system

[gmx-users] Re: Using Morse potentials with ENCAD force field

Using the parameters listed earlier I equalized my system after trying to place the oxygen and nitrogen molecules evenly throughout my system. The result showed the nitrogen molecules fairly even throughout the system but all the oxygen molecules on one side. Any ideas on why the system might

[gmx-users] Re: Using Morse potentials with ENCAD force field

Actually I think I am using the gromos force field. I have been using Christopher Stiles page as a guide to get started with using CNT http://cs86.com/CNSE/SWNT.htm. I realize now that all the modifications were made to ffgmx files. So I believe I am using the gromos forcefield. Is the

[gmx-users] Re: Using Morse potentials with ENCAD force field

It seems because your box should be a bit longer to succeed. Try to enlarge the side (13.2 nm) length. 2008/8/21 Andy Shelley [EMAIL PROTECTED]: No problem the term flattens is porbably not the best technical description. A better one would be the cnt collapses. Andy On Thu, Aug 21, 2008