[gmx-users] bonded interactions as table

2012-05-16 Thread mohan maruthi sena 
Hi all,
   I have learned from manual that non bonded interactions can be
given as user defined potential by using tables. If i want to give dihedral
term as user defined potential keeping rest of the bonded parameters in
their usual form, how can i do that.


 Please suggest me a way,

Thanks  Regards,
  Mohan
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Re: [gmx-users] bonded interactions as table

2012-05-16 Thread Justin A. Lemkul 



On 5/16/12 10:34 AM, mohan maruthi sena wrote:

Hi all,
I have learned from manual that non bonded interactions can be given
as user defined potential by using tables. If i want to give dihedral term as
user defined potential keeping rest of the bonded parameters in their usual
form, how can i do that.




See manual section 4.2.13.  Supplying a suitable table_d*.xvg file, with 
appropriate references to the tabulated function type (discussed in the manual) 
should be what you need.


-Justin

--


Justin A. Lemkul, Ph.D.
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin


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