Mohammadreza Niknam Hamidabad

6 Questions 34 Answers 0 Followers

Questions related from Mohammadreza Niknam Hamidabad

Fixing large fluctuations in pressure due to insufficient sampling in atomistic simulations?

Hello all, I was reading a paper on steered molecular dynamic (SMD). Then I realized the authors had to convert the system from all-atom to the coarse-grained configuration by using MARTINI force...

01 January 2018 7,491 0 View

Bad FENE bond error and fix nvt, fix nve problem in LAMPPS?

Hello everyone, I have a polymer with bond_style FENE every time that I comment the fix lines( except fix langevan) it works but as you know does not update the positions and if I uncomment the...

07 July 2016 7,353 1 View

United atom and all atom force field difference??

Hello everyone. I didn't understand difference between united atom and all atom force field. Is it just about Hydrogen and Carbon atoms?? Thanks.

04 April 2016 3,943 4 View

Boundary conditions in LAMMPS. Is a fixed B.C. reflective too?

Hello everyone, I'm using this boundary condition : Boundary f f p I don't know what happen if an atom approaches to x or y walls? Is it bounce back ? Thanks

04 April 2016 377 3 View

Problem with velocity polymer create command in LAMMPS?

Hello everyone, I have a big problem that I couldn't find in LAMMPS manual. In these line : velocity polymer create 2.0 4918459 mom yes rot yes dist uniformvelocity wall create 0.0 494259 mom yes...

03 March 2016 2,887 3 View

MD simulation in LAMMPS or GROMACS?

Hello everyone, I'm working on "Polymer translocation" and every time I search in internet, other researchers are talking about GROMACS. Is there a big problem with LAMMPS? Is GROMACS so easier...

03 March 2016 4,040 11 View