Re: [gmx-users] Potential Tables for user defined potentials

Thanks Justin, I have followed the How- tos/Polymers for creating rtp entries for polyacrylates/acids and have been able to run MD simulations successfully reproducing results from prior literature. Tabulated potentials section is also sure to help gmx-users. Thanks! Dr. M.S Sulatha IIT-Madras,

Re: [gmx-users] Potential Tables for user defined potentials

Justin A. Lemkul wrote: Gareth Tribello wrote: Hello again OK I have posted my notes on user defined potnetials here. I think there pretty exaustive (well they have everything I know about this in) and could be used as a how to in this form. However, I can't work out how to post them o

Re: [gmx-users] Potential Tables for user defined potentials

Gareth Tribello wrote: Hello again OK I have posted my notes on user defined potnetials here. I think there pretty exaustive (well they have everything I know about this in) and could be used as a how to in this form. However, I can't work out how to post them on the webiste as a how to p

Re: [gmx-users] Potential Tables for user defined potentials

Gareth Tribello wrote: Hi all I have just been stuck on this very problem of user defined potentials. When I emailed this list I was asked if I could make notes on the solution as this is a problem that seems to come up a lot. Anyway, I will send the notes to you separately Sikandar and w

Re: [gmx-users] Potential Tables for user defined potentials

Hi Gareth Thanks for the notes on user defined potentials in GROMACS. I will go through it and will send you the feedback after I get the simulation results. Thanks sikandar On Sun, Apr 4, 2010 at 11:27 AM, Gareth Tribello wrote: > Hi all > > I have just been stuck on this very problem of user

Re: [gmx-users] Potential Tables for user defined potentials

Hi all I have just been stuck on this very problem of user defined potentials. When I emailed this list I was asked if I could make notes on the solution as this is a problem that seems to come up a lot. Anyway, I will send the notes to you separately Sikandar and would ask if anyone knows where

Re: [gmx-users] Potential Tables for user defined potentials

Sikandar Mashayak wrote: Hi I plan to do 'fluid in channel' simulations using GROMACS 4.0.7. For that I need to use custom potential field parameters for fluid-fluid and fluid-wall interactions. So my question is that, how can I use potential table approach to specify fluid-fluid and flui

[gmx-users] Potential Tables for user defined potentials

Hi I plan to do 'fluid in channel' simulations using GROMACS 4.0.7. For that I need to use custom potential field parameters for fluid-fluid and fluid-wall interactions. So my question is that, how can I use potential table approach to specify fluid-fluid and fluid-wall interactions seperately?