Re: [gmx-users] repulsive interaction i and i+2

2012-05-18 Thread Mark Abraham 

On 18/05/2012 6:14 AM, mohan maruthi sena wrote:

Hi all,
  I have used a user define potential to describe attractive 
potential beyond i and i+3 atoms(similar to lLJ). If i want to 
describe repulsive interactions with in i and i+3 , how can i do it in 
gromacs? can anyone suggest me a way,


You can have multiple user-defined potentials if you can set up energy 
groups within which they interact, but I don't think it is possible in 
the current code to have the potential vary with the bonded connectivity.


Mark
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[gmx-users] repulsive interaction i and i+2

2012-05-17 Thread mohan maruthi sena 
Hi all,
  I have used a user define potential to describe attractive
potential beyond i and i+3 atoms(similar to lLJ). If i want to describe
repulsive interactions with in i and i+3 , how can i do it in gromacs? can
anyone suggest me a way,


Thanks and Regards,
Mohan
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