Re: [gmx-users] Applying a Lennard-Jones Gauss potential function for TIP5P water

2013-04-18 Thread Justin Lemkul
On 4/18/13 7:31 AM, Andrish Reddy wrote: Greetings, I am simulating a box of TIP5P waters and I would like to know if it is possible to change the standard LJ potential function to a more complex one (LJ-Gauss), while keeping the coulombic interaction standard. The custom potential will act

[gmx-users] Applying a Lennard-Jones Gauss potential function for TIP5P water

2013-04-18 Thread Andrish Reddy
Greetings, I am simulating a box of TIP5P waters and I would like to know if it is possible to change the standard LJ potential function to a more complex one (LJ-Gauss), while keeping the coulombic interaction standard. The custom potential will act between the oxygen atoms only and has the f