Pankaj Mishra

4 Questions 19 Answers 0 Followers

Questions related from Pankaj Mishra

Need help for running Gromacs 5.1.4 on cluster through qsub?

I am trying to run for the first time the Gromacs 5.1.4 on cluster supported by GPU. However, I am not able to figure out how to proceed such as which commands to use first and so on. Is there...

12 December 2016 2,345 4 View

How do I select edges and nodes for protein network analysis?

Kindly assist me in making .psf and .dcd file input for protein network analysis. I want to select Calpha atom for nodes. For edge assignment, I got this from the manual of Carma package "edges...

08 August 2015 986 1 View

Can anyone help with my DSSP analysis? Do_dssp error: Failed to execute command: Try specifying your dssp version with the -ver option.?

I am trying to carry DSSP analysis on 200 ns md simulations. However, I am constantly getting this error. I even tried to perform on different computer build, resulting into the same error but at...

05 May 2015 7,360 3 View

Can anyone help me with PyRx for virtual screening using flexible residues?

Traceback (most recent call last): File "D:\Program Files\PyRx\lib\site-packages\PyRx\molNavigator.py", line 164, in OnFlexResidues if self.frame.vsModel.flex_residues: ...

07 July 2014 6,665 2 View