Re: [gmx-users] Lipid forcefield to use with TIP5P/OPLSaa

2008-04-23 Thread Marc F. Lensink
On Wed, Apr 23, 2008 at 03:22:09PM +0400, Vasilii Artyukhov wrote: > > I'm afraid I have to use TIP5P; I _am_ looking at temperature dependent > information, and also, I need a good description of hydration of small > molecules I mentioned. These and other considerations make more or less > every

Re: [gmx-users] Lipid forcefield to use with TIP5P/OPLSaa

2008-04-23 Thread Vasilii Artyukhov
Thanks Chris and Mark! 2008/4/21 Chris Neale <[EMAIL PROTECTED]>: > I use tip4p/opls/berger combination and it works well for me. I have never > used tip5p. I suggest that you build your membrane and run one control > simulation (sounds like you would lean toward using spc for this) and then > on

Re: [gmx-users] Lipid forcefield to use with TIP5P/OPLSaa

2008-04-22 Thread Marc F. Lensink
On Mon, Apr 21, 2008 at 07:09:31PM +0400, Vasilii Artyukhov wrote: > Dear GROMACS users, > > particularly, those experienced with membrane simulations, > > I want to simulate lipid bilayers (e.g., DPPC) in the presence of certain > small solutes, much like what was done in A.K. Sum & J.J. de Pabl