Re: [gmx-users] Damping for pulled group

2017-07-18 Thread Alex
Code issues can be discussed on the gmx-developers mailing list. Feature requests can be made on redmine.gromacs.org. The best case is to file the feature request, take it on yourself, and discuss any issues on gmx-developers :) Thanks. Posted: http://redmine.gromacs.org/issues/2218 I hav

Re: [gmx-users] Damping for pulled group

2017-07-18 Thread Justin Lemkul
On 7/18/17 4:44 PM, Alex wrote: Hi all, This is more of a question about where I should make a suggestion for the developers. It turns out that Gromacs pull code was designed nearly perfectly to do simulated friction force microscopy (FFM), i.e. scanning a surface with a tip. The only thing th

Re: [gmx-users] Damping for pulled group

2017-07-18 Thread Alex
I mean would it be hard to add a damping term. Sorry, half asleep. :) Alex On Tue, Jul 18, 2017 at 2:44 PM, Alex wrote: > Hi all, > > This is more of a question about where I should make a suggestion for the > developers. It turns out that Gromacs pull code was designed nearly > perfectly to do

[gmx-users] Damping for pulled group

2017-07-18 Thread Alex
Hi all, This is more of a question about where I should make a suggestion for the developers. It turns out that Gromacs pull code was designed nearly perfectly to do simulated friction force microscopy (FFM), i.e. scanning a surface with a tip. The only thing that's missing is that the equation of