Re: [gmx-users] Topology for Sphingomyelin

Hi Justin, I have stumbled upon another problem. The sphingomyelin topology (PSM.itp) that Charmm-GUI provides has an atomtype called NHL that is not defined by the Charmm36 ff. I am using the latest charmm36-jun2015.ff. Could you please look in to this? On Fri, Jan 22, 2016 at 4:29 PM, Ganesh

[gmx-users] Topology for Sphingomyelin

Dear Gromacs users, I wish to simulate a mixed lipid bilayer of which one of the lipids is sphingomyelin (PSM, 18:1-sphingosine and 16:0-palmitic acid) using Charmm36 ff. Towards this, I constructed the bilayer using Charmm-GUI but then was surprised to find that its topology is not present in

Re: [gmx-users] Topology for Sphingomyelin

On 1/22/16 8:51 AM, Ganesh Shahane wrote: Dear Gromacs users, I wish to simulate a mixed lipid bilayer of which one of the lipids is sphingomyelin (PSM, 18:1-sphingosine and 16:0-palmitic acid) using Charmm36 ff. Towards this, I constructed the bilayer using Charmm-GUI but then was surprised

Re: [gmx-users] Topology for Sphingomyelin

Thank you for your reply Justin!. It was helpful. On Fri, Jan 22, 2016 at 2:41 PM, Justin Lemkul wrote: > > > On 1/22/16 8:51 AM, Ganesh Shahane wrote: > >> Dear Gromacs users, >> >> I wish to simulate a mixed lipid bilayer of which one of the lipids is >> sphingomyelin (PSM,

Re: [gmx-users] Topology for Sphingomyelin

On 1/22/16 7:43 PM, Ganesh Shahane wrote: Hi Justin, I have stumbled upon another problem. The sphingomyelin topology (PSM.itp) that Charmm-GUI provides has an atomtype called NHL that is not defined by the Charmm36 ff. I am using the latest charmm36-jun2015.ff. Could you please look in to