[gmx-users] Generating topology for Tetrahydrofolate within CHARMM ff

2016-05-02 Thread zeineb SI CHAIB
Dear gmx users, I'm working on simulating a protein with two cofactors (hem and tetrahydrofolat) and its substrate. I'm in the first stage; generating topology. I choose CHARMM27 as a force field and I'm little bit confused on how to generate tetrahydrofolate's topology. I tried the online t

[gmx-users] Generating topology for Tetrahydrofolate within CHARMM ff

2016-05-02 Thread zeineb SI CHAIB
Dear gmx users, I'm working on simulating a protein with two cofactors (hem and tetrahydrofolat) and its substrate. I'm in the first stage; generating topology. I choose CHARMM27 as a force field and I'm little bit confused on how to generate tetrahydrofolate's topology. I tried the onli

Re: [gmx-users] Generating topology for Tetrahydrofolate within CHARMM ff

2016-05-02 Thread Justin Lemkul
On 5/2/16 12:58 PM, zeineb SI CHAIB wrote: Dear gmx users, I'm working on simulating a protein with two cofactors (hem and tetrahydrofolat) and its substrate. I'm in the first stage; generating topology. I choose CHARMM27 as a force field and I'm little bit confused on how to generate t

Re: [gmx-users] Generating topology for Tetrahydrofolate within CHARMM ff

2016-05-17 Thread zeineb SI CHAIB
@ Justin Dear Justin, Thank you very much for the links. I'll read the articles and see how I can fix my topology file! Zeineb.