Mallika Khare

2 Questions 9 Answers 0 Followers

Questions related from Mallika Khare

How to create Residue Topology File in CHARMM?

Hello All Can anyone help me with the simple tutorial(other than the common one available on the web) to construct a residue topology file for bimolecular interaction (Vander waal) in CHARMM....

25 February 2016 2,119 12 View

How can I remove the rhfpro error in Molpro?

Hello I am new to the computational suite"MolPro" and I am trying to do the frequency calculation for a small organic molecule. Following is my Input data: ***, Name frequency...

01 September 2015 7,338 6 View