Re: questions about user defined potential in NAMD

Date: Mon Dec 13 2010 - 18:23:42 CST

Hey Jackie,

I remember that a couple of weeks ago Jim Phillips mentioned here that indeed namd2.7 has this feature but it is still not documented in the user guide.

I also would like to try this new feature of namd with topology based potential. Is it possible to obtain a sample of the table potentials to run some simulations from Jim or any other developer?

Thanks in advance


----Mensaje original----
Fecha: 13-12-2010 18:48
Para: ""<>
Asunto: namd-l: questions about user defined potential in NAMD

Hi all,
  i want to simulate a protein-membrane system with some ions in it. I need to specify the interaction potential between the ion and protien. I know in Gromacs we can use a user-defined table to do this job. Can this be done in namd? could anysome send me some instructions?

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