[gmx-users] Regarding finding a ion/molecule in forecefield

Dilip H N cy16f01.dilip at nitk.edu.in
Fri Dec 29 13:43:08 CET 2017

Hello all,
How to find out/search a specific molecule or ion is present in which
forcefield (say for eg., Ca 2+ or carbonate ion CO32-, or any other
molecule), and hence can generate .pdb file corresponding to that residue
naming in the FF and generate its topology.

In this case, i needed Ca2+ (calcium ion), CO32- (carbonate ion) and in
which forcefield is it present.

Any suggestions...

Thank you.

With Best Regards,

Ph.D. Student

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