Re: [gmx-users] g_hbond distance distribution problem

-- Message: 4 Date: Sun, 18 May 2008 00:50:30 +0200 From: Xavier Periole [EMAIL PROTECTED] Subject: Re: [gmx-users] g_hbond distance distribution problem To: Discussion list for GROMACS users gmx-users@gromacs.org Message-ID: [EMAIL PROTECTED] Content-Type:

Re: [gmx-users] g_hbond distance distribution problem

Dechang Li wrote: -- Message: 4 Date: Sun, 18 May 2008 00:50:30 +0200 From: Xavier Periole [EMAIL PROTECTED] Subject: Re: [gmx-users] g_hbond distance distribution problem To: Discussion list for GROMACS users gmx-users@gromacs.org Message-ID: [EMAIL PROTECTED]

[gmx-users] problem regarding energy minimization

Dear Sir, I want to minimize an average structure obtained from a simulation, by conjugate gradient method.. As this method is more efficient than steepest descent I am trying with this method. The minimization has gone smoothly with steepest descent and lbfgs, but it failed while using

[gmx-users] water distortion above bilayer

Hi all, In the TIP4P water layer above my dmpc bilayer after 100ps (OPLS-BERGER) a hole is being formed. Some water molecules are absent in the water layer, but the total no of water molecules are same. This is my semi.mdp file title = bilayer MD DMPC PURE cpp