subject:"\[gmx\-users\] Warning when using both LJ and Buckingham non\-bonded interaction"

Re: [gmx-users] Warning when using both LJ and Buckingham non-bonded interaction

2007-06-13 Thread Mark Abraham

WU Yanbin wrote: Hi, When I use both LJ and Buckingham non-bonded interaction in my topology file, specially like the following: [ nonbond_params ] ; ij func c6 c12 OW OW 1 ... ; ij

[gmx-users] Warning when using both LJ and Buckingham non-bonded interaction

2007-06-13 Thread WU Yanbin

Hi, When I use both LJ and Buckingham non-bonded interaction in my topology file, specially like the following: [ nonbond_params ] ; ij func c6 c12 OW OW 1 ... ; ij func a