On 5/3/15 10:29 PM, James Lord wrote:
Hi Justin,
I definitely saw this in the manual but as I said before couldn't get the part
a suitable [position_restraints] and negative force constant in your
earlier email. Would you please let me know the right way of doing this? may be
an example of
On 5/3/15 9:07 AM, James Lord wrote:
Hi Justin,
Thanks for the info, your assumption re long axis of the box is correct (z),
here is the .gro file I have for one the oil (decane)-protein (the protein is in
the middle part of the free space above the oil surface). Is that what you were
talking
Hi Justin,
Thanks for the info, your assumption re long axis of the box is correct
(z), here is the .gro file I have for one the oil (decane)-protein (the
protein is in the middle part of the free space above the oil surface). Is
that what you were talking about? I went through manual and could
Dear gmx users,
I have a biphasic system, like Justin's tutorial, but I want to control
the protein to adsorb/desorb from the oil-water interface, I don't want the
protein to go through oil phase just want to keep it at the interface, I
have added a constant force at the end of the mdp file. i
On 5/2/15 10:02 AM, James Lord wrote:
Dear gmx users,
I have a biphasic system, like Justin's tutorial, but I want to control
the protein to adsorb/desorb from the oil-water interface, I don't want the
protein to go through oil phase just want to keep it at the interface, I
have added a
