Re: [gmx-users] Steered MD in reverse direction?

2011-11-04 Thread Sanku M
Sent: Thursday, November 3, 2011 9:27 PM Subject: Re: [gmx-users] Steered MD in reverse direction? Sanku M wrote: Hi,   I am performing steered Molecular dynamics simulation to pull a molecule out of a complex. I am using gromacs 4.5.4 to perform the constant rate pulling..I have done

Re: [gmx-users] Steered MD in reverse direction?

2011-11-03 Thread Justin A. Lemkul
Sanku M wrote: Hi, I am performing steered Molecular dynamics simulation to pull a molecule out of a complex. I am using gromacs 4.5.4 to perform the constant rate pulling..I have done the steered MD simulation in a particular direction i.e hav pulled the molecule out of complex. But, to

Re: [gmx-users] Steered MD in reverse direction?

2011-11-03 Thread Sanku M
Sent: Thursday, November 3, 2011 9:27 PM Subject: Re: [gmx-users] Steered MD in reverse direction? Sanku M wrote: Hi,   I am performing steered Molecular dynamics simulation to pull a molecule out of a complex. I am using gromacs 4.5.4 to perform the constant rate pulling..I have done