RE: [gmx-users] Applying a Uniform Shear

From: toma0052 <[EMAIL PROTECTED]> Reply-To: Discussion list for GROMACS users To: Discussion list for GROMACS users Subject: [gmx-users] Applying a Uniform Shear Date: Thu, 13 Sep 2007 12:00:12 CDT Hello, I am looking for a way in Gromacs that I could apply a uniform shear. I have

Re: [gmx-users] Applying a Uniform Shear

toma0052 wrote: Hello, Thanks for the rapid response, although I am not sure I completely understand what you mean. The accelerate option adds a constant acceleration to whatever atoms I choose with acc_grps. However, if I want a uniform shear, I need to give atoms an acceleration dependen

Re: [gmx-users] Applying a Uniform Shear

Hello, Thanks for the rapid response, although I am not sure I completely understand what you mean. The accelerate option adds a constant acceleration to whatever atoms I choose with acc_grps. However, if I want a uniform shear, I need to give atoms an acceleration dependent on their positio

Re: [gmx-users] Applying a Uniform Shear

toma0052 wrote: Hello, I am looking for a way in Gromacs that I could apply a uniform shear. I have looked through the manual, and it seems that the methods for applying shear are using the cos_acceleration option or the deform option. The deform option may work for me. However, I was rea