[gmx-users] Which is the real function used in computation?

主月 :) jiqing at iccas.ac.cn
Thu Dec 22 10:37:02 CET 2005


Hi everyone:
  From manual 3.2 chapter 4, i found there are many function for non-bonded or bonded interaction. The function used in my computation can be choosen by modify *.top.But the function has already been set if we choose the force field. 
  For example, the Bond stretch function have Harmonic potential and Fourth power potential. I choose gromos96 force field when i used pdb2gmx to build molecule then it will choose Fourth power potential. Then i modify the *.top to set function to 1 that is Harmonic potential.Which is the real function used in computation?
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20051222/a8c48c10/attachment.html>


More information about the gromacs.org_gmx-users mailing list