Sara Sarfaraz

3 Questions 7 Answers 0 Followers

Questions related from Sara Sarfaraz

Average protein structure

Does anyone have an experience in extracting average structure from multiple PDB structures? I know that in MD simulations there is something like averaging structures but here I have original PDB...

05 May 2017 255 6 View

GROMACS: coordinates in coordinate (solv.gro) file does not match topology?

I am working with hem protein. I built toplogy files for hem and ligand using antechamber and built the protein topology using amberff99sb provided in gromacs. I get an error "number of...

03 March 2017 8,022 0 View

Ligand Library preparation

I am having a problem in preparing ligand library. I have followed all the steps but I am afraid the frcmod file is not correct since I get some error which says "ATTN need revision". I attached...

12 December 2012 8,698 0 View