Re: [gmx-users] Modified peptides

Thank you very much Dr. Lemkul Sent from my iPhone > On 02-Apr-2016, at 10:34 pm, Justin Lemkul wrote: > > > >> On 4/2/16 2:11 AM, sun wrote: >> Hello Gromacs Users I have already posted this query but in the absence of >> any suggestion, I am posting it again. I hope

[gmx-users] Modified peptides

Hello Gromacs Users I have already posted this query but in the absence of any suggestion, I am posting it again. I hope someone will help me. I am going to do protein-peptide MD using Justin's protein-ligand tutorial (ff gromos43A1, GROMACS version 5.0). My ligand is a pentameric modified

Re: [gmx-users] Modified peptides

On 2/2/16 11:02 AM, sun wrote: Hello I want to do protein-ligand MD with Gromos-43A1 ff. My ligand is a tripeptide with a heterocyclic ring attached to -N terminus. I read in Justin's tutorial, for non-peptidic ligands, one can obtain co-ordinates from PRODRG server. My question is, if i

[gmx-users] Modified peptides

Hello I want to do protein-ligand MD with Gromos-43A1 ff. My ligand is a tripeptide with a heterocyclic ring attached to -N terminus. I read in Justin's tutorial, for non-peptidic ligands, one can obtain co-ordinates from PRODRG server. My question is, if i can obtain the co-ordinates for