Re: [gmx-users] How can i specify a user defined potential between i, i+2 residues

2012-05-15 Thread Mark Abraham 

On 16/05/2012 3:43 PM, mohan maruthi sena wrote:

Hi all,
  I use a user defined potential to describe non-bonded 
interactions, as this excludes i, i+2,i+3. If i want to describe a 
user defined potential for i,i+2,i+3,(i.e, 1-2,1-3) residues , how can 
i give that in mdp file.


Doing that with a user-defined non-bonded potential requires you change 
nrexcl for your force field. Doing that with a user-defined bonded 
potential doesn't, but you'll have to specify all the interactions manually.


Mark
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[gmx-users] How can i specify a user defined potential between i, i+2 residues

2012-05-15 Thread mohan maruthi sena 
Hi all,
  I use a user defined potential to describe non-bonded
interactions, as this excludes i, i+2,i+3. If i want to describe a user
defined potential for i,i+2,i+3,(i.e, 1-2,1-3) residues , how can i give
that in mdp file.

  T
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