Andre Silva Pimentel

4 Questions 15 Answers 0 Followers

Questions related from Andre Silva Pimentel

How can I transfer heat between groups in Gromacs?

Is it possible to transfer heat from one group to another using simulated aneeling technique in the Gromacs software? I would like to transfer heat from a gold nanoparticle (group 1 from 310 to...

21 November 2020 9,239 3 View

How can I calculate the water/octanol partition coefficient using umbrella sampling and molecular dynamics?

I tried to use molecular dynamics to calculate the free energy of transfering a molecule from water to octanol phase. I used the umbrella sampling to sample the transferring path.

27 April 2017 615 10 View

Who works with antimicrobial peptides used as antibiotics to treat lung infections?

Trying to make connections!!!

27 January 2017 5,391 4 View

Heat transfer between two groups in gromacs

Is it possible to transfer heat from one group to another using simulated aneeling technique in the Gromacs software? I would like to transfer heat from a gold nanoparticle (group 1 from 310 to...

01 January 1970 7,030 2 View