Re: [gmx-users] GROMACS-CYSTEINE PROTEASES

2013-08-21 Thread MUSYOKA THOMMAS
Dear Justin, Thanks so much. If get stuck i will come knocking on your door. Cheers. On Wed, Aug 21, 2013 at 10:17 PM, Justin Lemkul wrote: > > > On 8/21/13 4:00 PM, MUSYOKA THOMMAS wrote: > >> Dear users, >> I am new to GROMACS and i have just been practising with several >> tutorials. >> I a

Re: [gmx-users] GROMACS-CYSTEINE PROTEASES

2013-08-21 Thread Justin Lemkul
On 8/21/13 4:00 PM, MUSYOKA THOMMAS wrote: Dear users, I am new to GROMACS and i have just been practising with several tutorials. I am trying to do a molecular dynamics simulation of cysteine proteases an example falcipain-2 (PDBID=2OUL) and got several issues to pose 1) looking at the structu

[gmx-users] GROMACS-CYSTEINE PROTEASES

2013-08-21 Thread MUSYOKA THOMMAS
Dear users, I am new to GROMACS and i have just been practising with several tutorials. I am trying to do a molecular dynamics simulation of cysteine proteases an example falcipain-2 (PDBID=2OUL) and got several issues to pose 1) looking at the structure it has water molecules - do i get rid of the