[gmx-users] order parameters of partially unsaturated chains

Dear all I wonder which is the best way to determine the deuterium order parameters of partially unsaturated chains like the oleoyl chain of POPC, more specifically I wonder if I should use the -unsat flag in g_order for this case. I checked several papers on unsaturated lipids, see for instance: 1

[gmx-users] error in ffgmxbon.itp

Dear Justin I want to run a simulation on a system containing DPPC and water(TIP4P-2005). I have in my .top file some included .itp files. they are: lipid.itp dppc.itp tip4p-2005.itp   ffgmx-local.itp (this is the name which we have selected for the modified version of ffgmx.itp) in which they ar

Re: [gmx-users] error in ffgmxbon.itp

On 8/01/2011 8:44 PM, delara aghaie wrote: Dear Justin I want to run a simulation on a system containing DPPC and water(TIP4P-2005). I have in my .top file some included .itp files. they are: lipid.itp dppc.itp tip4p-2005.itp ffgmx-local.itp *(this is the name which we have selected for the m

Re: [gmx-users] Ion-Clustering?

Clustering of ions has been seen before. It is for instance discussed in Hess, B. et. al. J. Chem. Phys. 124, 164509 (2006). Cheers, Erik Micholas Smith skrev 2011-01-07 14.56: Hello everyone, I've been performing some rather long simulations (400ns) of a short peptide chain in explicit TIP