Hamid Mosaddeghi

14 Questions 30 Answers 0 Followers

Questions related from Hamid Mosaddeghi

embedded-atom method (EAM) potential and "upper limit" "lower limit"?

Hi how set "upper limit" "lower limit" in embedded-atom method (EAM) potential? Thank you

01 January 2017 9,872 1 View

How can I change of protein's primary structure by molecular dynamic simulation?

I work on the interaction of CNT and proteins. The results show that the tertiary and secondary structure of proteins are changed (effected by CNT). VMD sequence viewer shows that the primary...

08 August 2014 5,849 2 View

Why am I experiencing protein unfolding, and why are the number of H bonds increasing?

I work with gromacs code on the protein carbon nanotubes interaction. I saw that when the protein becomes unfolded, the number of hydrogen bonds (in protein itself, not with water molecules)...

08 August 2014 5,592 2 View

What is the number of h bond per molecule in EG?

I need to know the number of h bond per molecule for ethylene glycol.

06 June 2014 3,596 1 View

Interaction between metal nanoparticle and protein?

Do you see any papers related to molecular dynamics simulation of metal nanoparticle and protein?

02 February 2014 9,205 0 View

is it relation between minimum in Excess molar enthalpy (negative value) and minimum diffusion in binary mixture?

11 November 2013 3,732 1 View

Deviation from Raoult's law in methanol water mixture?

I see that in some papers the reported methanol-water in 300K shows a positive deviation from Raoult's law, but at low temperatures have negative deviation from Raoult's law. Does anyone have a...

11 November 2013 8,825 4 View

What is the difference between OPLS-AA and OPLS-AA/L?

I want write filed for methanol molecule. I need to know what the difference is between OPLS-AA and OPLS-AA/L?

11 November 2013 6,251 1 View

Is it possible to determine boiling point by lindemann index?

Is it possible to determine boiling point by lindemann index? I see some references, that work on melting point by lindemann index. But I need to determine boiling point by lindemann index.

11 November 2013 7,002 4 View

Is it possible prediction Raoult's law by MD?

Molecular simulation and Raoult's law.

11 November 2013 1,551 5 View

Hydrogen bonding and water methanol mixture?

I want to know that in methanol/water mixture from water rich to methanol rich, how change total hydrogen bonding in mixture? Less than pure water or not?

11 November 2013 3,978 6 View

Critical points for methanol OPLS-AA?

I need critical points as temperature,density and pressure of methanol with opls-aa force field.

11 November 2013 7,889 2 View

Heat capacity and DL_POLY?

I need to calculate heat capacity from r.m.s fluctuation energy that reported in OUTPUT. How to do it?

11 November 2013 9,610 5 View

Surface tension and electrical field?

Is there a relation between electrical field and surface tension? I work on MD and I want reduce surface tension of liquid. Is there any method for it?

10 October 2013 1,683 5 View