Azam Roohi

4 Questions 4 Answers 0 Followers

Questions related from Azam Roohi

Error while installing gromacs?

Hello all I was trying to install gromacs 2019 in an non-standard. but i countered this error: /usr/lib/gcc/x86_64-linux-gnu/5/include/mwaitxintrin.h(36): error: identifier...

17 June 2020 4,147 5 View

Can we use charmm-gui for glycosilated metalloproteins?

I want to do simulation in gromacs for a glycosylated metaloprotein . it has 4 cu+2 in the active site and 9 sugar (NAG) on the surface of it. can i use charmm-gui for simulation? Is charmm-gui...

21 April 2020 7,296 0 View

How do I generate topology of many ligands which are not coonected all of them ,for gromacs?

Hi. I want to do simulate via gromacs for ligand- protein complex which there is 9 ligands (three of them are seperated and six of them are connected together(picture in Add files). when I used...

15 January 2020 5,908 5 View

Can anyone advice how to troubleshoot segmentation fault (core dumped) during NVT equilibration stage of ligand- protein simulation?

Hi. I am using gromose 54a7 force-field and Gromacs package to simulate a protein-ligand complex.it writes pdbs for steps. Maximum force = 8.3529562e+04 But in the NVT equilibration step, the...

17 December 2019 8,570 2 View