[gmx-users] problems in setup the protein+ membrane

Dear all, I face some problem during run grompp (see below), the command is "grompp -f em.mdp -c ../2add_lipw/b4ion.gro -p ../topol.top -o b4ion.tpr" -Before this process, i've changed the ffG53a6nb.itp & ff53Ga6bon.itp according to the tutorial (http://www.bevanlab.biochem.vt.edu/Pages/Personal/

Re: [gmx-users] problems in setup the protein+ membrane

010 at 8:24 AM, Mark Abraham wrote: > On 12/02/10 12:16, chiloo777 777 wrote: >> >> Dear all, >> >> I face some problem during run grompp (see below), the command is >> "grompp -f em.mdp -c ../2add_lipw/b4ion.gro -p ../topol.top -o b4ion.tpr" &

Re: [gmx-users] problems in setup the protein+ membrane

If this problem comes from the mismatch forcefield, That mean i should change forcefield from ffG53a6 to ffgmx, or find popg.itp (which is matched with ffG53a6), right? Thanks Jit On Fri, Feb 12, 2010 at 9:06 AM, Justin A. Lemkul wrote: > > > chiloo777 777 wrote: >> >> To

Re: [gmx-users] problems in setup the protein+ membrane

- "Disturb the Peace of a John Q Citizen" (Urban Dance Squad) On Fri, Feb 12, 2010 at 2:49 PM, Mark Abraham wrote: > On 12/02/10 18:17, chiloo777 777 wrote: >> >> If this problem comes from the mismatch forcefield, That mean i

Re: [gmx-users] problems in setup the protein+ membrane

Thanks for Your suggestion, I will use an updated forcefield & gradually adjust each error lines. Jit On Fri, Feb 12, 2010 at 6:50 PM, Justin A. Lemkul wrote: > > > chiloo777 777 wrote: >> >> So, I've changed forcefield from ffG53a6 to ffgmx, the errors are as