[gmx-users] Phd positions available

Dear all, since many people in our group are gromacs users, this announcement could make some sense on the gmx mailing list. Please forward it to interested people. Best wishes, Giovanni Bussi ***PhD positions at SISSA in Physics and Chemistry of Biological Systems There are 3 positions

[gmx-users] Phd positions in SISSA

Dear all, since many people in our group are gromacs users, this announcement could make some sense on the gmx mailing list. Please forward it to interested people. Best wishes, Giovanni Bussi # Job Description: Applicants should have a good background in Physics, Chemistry or related

[gmx-users] Phd positions

Dear all, since many people in our institute are gromacs users, this announcement could make some sense on the gmx mailing list. Please forward it to interested people. Best wishes, Giovanni Bussi # Dear colleague, we would like to remind the forthcoming deadline - September 23

[gmx-users] free energy perturbation

Dear all, I am using GROMACS with free-energy perturbation to switch off a molecule gradually. If I understand correctly, the parameter couple-moltype is used to select which molecule to switch off. Is it possible to switch off *two* molecules at the same time? (e.g. a charged molecule and a

Re: [gmx-users] free energy perturbation

I will try the second solution you proposed (which seems more flexible). So, I should edit the top file (as explained in the Topologies/File formats/Topologies for free energy calculations section of the manual). And I should NOT use couple-moltype anymore, which is just a shortcut for the

Re: [gmx-users] Install gromacs333 with plumed110

This question is more appropriate to the plumed-users forum. Giovanni On Thu, Aug 6, 2009 at 4:42 PM, osmair oliveiraosmai...@hotmail.com wrote: Hi,  I am trying to install gromacs 3.3.3 with plumed 1.1.0 with the following commands: $ export plumedir=/home/osmair/programs/PLUMED-1.1.0 $

[gmx-users] Re: v-rescale - harmonic oscillator

(which is the big pain in Nose-Hoover) should not be a problem at all. Furthermore, the algorithm should work and provide the proper ensemble also on very small systems. Best regards, Giovanni Bussi ___ gmx-users mailing listgmx-users@gromacs.org http