Re: [gmx-users] exclusions for a specific model

2010-03-17 Thread Mark Abraham
On 17/03/2010 9:20 PM, Cristiano De Michele wrote: Dear GROMACS users, I created a custom topology file to define a molecule composed of 5 sites. Two sites are real massive sites (but for them C6=C12=0 and their charge is 0, hence they do not interact with sites of same type on other molecules),

[gmx-users] exclusions for a specific model

2010-03-17 Thread Cristiano De Michele
Dear GROMACS users, I created a custom topology file to define a molecule composed of 5 sites. Two sites are real massive sites (but for them C6=C12=0 and their charge is 0, hence they do not interact with sites of same type on other molecules), while remaining three sites are virtual sites. Two o