Md Symon Jahan Sajib

4 Questions 10 Answers 0 Followers

Questions related from Md Symon Jahan Sajib

Can we use Gasteiger partial charges for MD simulation?

I built a crosslinked membrane for using it in MD simulation. Since the crosslink is suppose to be via chemical reaction and the charges in reaction site supposed to be changed compared to the...

10 October 2016 4,314 3 View

How can I run MD simulation with reactive force field?

I want to start working on Reactive forcefield. Which Package will be better to use with reactive forcefield & how to start working? Anyone can give any preliminery direction to work,...

04 April 2015 9,494 6 View

Can antechamber relax a structure in a small amount?

antechamber -i sustiva_new.pdb -fi pdb -o sustiva.mol2 -fo mol2 -c bcc -s 2 I am running antechamber. can the the command make the mol2 file a bit relaxed from pdb file?

08 August 2014 2,398 3 View

How does one convert forcefield parameter from pcff to oplsaa ?

I got some useful parameter in PCFF form. I need to convert them in OPLSAA. How do I do that? As I see the functional form of these two for bond and angle is same. What about lenard jones? PCFF...

08 August 2014 9,553 5 View