Re: [gmx-users] Building different size membranes using gromacs 5.1.4

Thank you Dr. Dallas and Kevin for your suggestions, I will try those and update you for further assistance. Regards, Dananjana -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www

[gmx-users] Potential Energy Distribution Plots in REMD

Dear Gromacs Users, I want to plot potential energy distribution plot using the normal distribution curve (bell curve) for all replicas in my REMD simulation. I used the command, gmx analyze -f Penergy.xvg -dist -normalize However, I got a histogram, instead of a bell curve. Appreciate, if you c

Re: [gmx-users] Change forcefield directory

On 8/9/19 3:43 AM, Dawid das wrote: Dear Justin, I was talking about changing GMXLIB, because she has to transfer her force field files to a different directory than Gromacs is installed in. I am in the same situation and what I did was to copy a whole gromacs-2016.4/share/top directory to my

Re: [gmx-users] Cutoff

On 8/9/19 1:37 AM, Omkar Singh wrote: Hi everyone, I want to calculate gangle within a cutoff region. How can I give cutoff for calculating gmx gangle. Anything related to geometric criteria would have to be specified in an index group created by gmx select. I do not know whether gmx gangle

Re: [gmx-users] Change forcefield directory

Dear Justin, I was talking about changing GMXLIB, because she has to transfer her force field files to a different directory than Gromacs is installed in. I am in the same situation and what I did was to copy a whole gromacs-2016.4/share/top directory to my home and changed GMXLIB for this direct