Re: [gmx-users] Problem in installing GROMACS 2018

Hi, Did you have a previous install of gromacs 5.1.2? If so, it’s potentially a case of you having two installations of gromacs, and the first one found by your os when you try to run gmx [command] is 5.1. Kevin > On May 27, 2018, at 12:10 AM, Ali Ahmed wrote: > > Dear

Re: [gmx-users] Problem in installing GROMACS 2018

Dear Soham, I followed website instructions. I could not find instructions by Sridhar Manchu for 2018 version. Thanks On Sat, May 26, 2018 at 10:54 PM, Soham Sarkar wrote: > Follow installation by Sridhar Manchu > > On Sun, 27 May 2018, 4:23 am Ali Ahmed,

Re: [gmx-users] Problem in installing GROMACS 2018

Follow installation by Sridhar Manchu On Sun, 27 May 2018, 4:23 am Ali Ahmed, wrote: > Hello GROMACS users, > > I'm trying to install GROMACS 2018 on my laptop. I followed the > instructions on GROMACS website and everything looks fine. > But when I check the version. it

Re: [gmx-users] Problem in installing GROMACS 2018

Hello Benson, Yes, I did. On Sat, May 26, 2018 at 9:49 PM, Benson Muite wrote: > > > On 05/27/2018 01:53 AM, Ali Ahmed wrote: > >> Hello GROMACS users, >> >> I'm trying to install GROMACS 2018 on my laptop. I followed the >> instructions on GROMACS website and everything

Re: [gmx-users] Problem in installing GROMACS 2018

On 05/27/2018 01:53 AM, Ali Ahmed wrote: Hello GROMACS users, I'm trying to install GROMACS 2018 on my laptop. I followed the instructions on GROMACS website and everything looks fine. But when I check the version. it says : :-) GROMACS - gmx, VERSION 5.1.2 (-: . Please, can anyone tell me

[gmx-users] Problem in installing GROMACS 2018

Hello GROMACS users, I'm trying to install GROMACS 2018 on my laptop. I followed the instructions on GROMACS website and everything looks fine. But when I check the version. it says : :-) GROMACS - gmx, VERSION 5.1.2 (-: . Please, can anyone tell me how to install 2018 version? because I need to

[gmx-users] REMD

Hello Gromacs Users, I am interested in calculating the equilibrium distribution of molecular structures at the vacuum-liquid interface of several different low vapor pressure liquids. All of these liquids are very viscous at or near room-temperature and I suspect that conformational barriers may

[gmx-users] Colchicine topology

Hi all, I use gromacs for MD simulations, but use charmm or amber force fields, did someone try to generate the colchicine topology? I try to do it using CGenFF, but get to high penalty score due to dihedrals. And which force field is better for protein-ligand simulation (tubulin-colchicine)?