[gmx-users] simulation of a small peptide in water with calcium ion

[Soumendra Rana]

Dear All,
      I wanna do a simulation of a small peptide in water in presence of
calcium ion.Can anybody give me a little hint how to start with for this
purpose/how to include that in .top file.Thanx u all in advance.


Soumendra Rana
Research Scholar
BioOrganic Lab.
Dept.of Chemistry & Chemical Engineering
IIT Bombay,Powai-400076
Maharastra,India
E-mail-soumendraR at netscape.net