Re: [gmx-users] pull.pdo AFM force

2006-03-15 Thread Soren Enemark
Hi Emily, sometimes one can be quite lucky..:) I have just done a few simulations in which I try to pull two molecules apart. I want to calculate the force as a function of intermolecular distance, and I just saw your post. Can I ask you for the script that you mentioned? Cheers -Søren

Re: [gmx-users] pull.pdo AFM force

2006-03-14 Thread Emily Walton
Hi all I have a short question. Could you please tell me what do the columns in pull.pdo (output file from AFM) stand for. Is there a simple way to obtain forces from AFM pulling? Thank you for help. Michal As an example, with one pulling group, and pulling in 3D, the output columns r

[gmx-users] pull.pdo AFM force

2006-03-14 Thread Michal Kolinski
Hi allI have a short question.  Could you please tell me what do the columns in pull.pdo (output file from AFM) stand for.  Is there a simple way to obtain forces from AFM pulling? Thank you for help.Michal  ___ gmx-users mailing listgmx-users@