Nayim Sepay

7 Questions 6 Answers 0 Followers

Questions related from Nayim Sepay

Is it possible to take a pdb file generated from docking results for molecular dynamics study in VMD and NAMD system?

I want to use a pdb file got after docking of a ligand to protein using autodock4 in molecular dynamics calculations with the help of VMD and NAMD only. I have a very little idea about VMD as well...

09 September 2018 7,930 0 View

What is suitable free softwere for coarse grained molecular dynamics in Windows systems?

I am trying coarse grained molecular dynamics in Windows systems for some peptides. I need a program for this purpose. Can anybody suggest me?

09 September 2017 8,263 0 View

How can I calculate polarizability and hyperpolarizability using Gaussian? What are keywords for it?

I was tried the keyword "polar" for the calculation. I was unable to get the result. I need a suggestion about it. Please tell me keywords that I can use it in Gauss view 5.0 for calculation....

08 August 2015 1,436 7 View

Can anybody help me about DOCKING of DNA by autodock4?

I can not make flexible and rigid.pdbqt files of DNA. I can not select sugar and nucleotides separately .

01 January 2015 7,985 4 View

Uploading problem: how can I upload structure factor file?

When I want to upload structure factor file after uploading cif file in Acta ctystallography sce E they show 'Our records show that you have already uploaded an article with this title.' Please...

10 October 2014 7,632 0 View

How can I get supplimentary file of a crystal after solving X-ray crystal data?

Method to get supplimentary data using Appex and WinGX software or any other sources?

01 January 2014 8,377 3 View

How can I install gromacs-3.3.1 on windows?

I have no idea about compiler. Please help me.

01 January 1970 4,963 0 View