Deepali Sharma

4 Questions 8 Answers 0 Followers

Questions related from Deepali Sharma

How to get the conformers of a molecule?

I want the low energy conformations of fructose molecule. SPARTAN software gives the conformers of a molecule but that is paid. Is there any freely available software that can give the lowest...

08 April 2016 1,594 12 View

Create a ZnO nanocluster of appropriate size (1 -5 nm) in GaussView 5.0.8 using PBC ?

I created a ZnO nanocluster in GaussView using PBC conditions by imorting CIF file but I am unable to find out the size? Secondly, I converted the input file in .dat format so that it could be run...

24 February 2016 3,218 2 View

Can somone help with an error while creating topology file using topolbuild?

I converted the pdb file to mol2file using openbabel 2.3.2. When I am trying to execute the topology of the file using the following command: ./topolbuild -dir...

22 April 2015 3,168 11 View

Could GROMACS be used to study cytotoxicity of metal oxide nanoparticles?

GROMACS

17 June 2014 1,375 1 View