On 8/2/17 1:16 AM, Alex Mathew wrote:
Dear Justin,
Well, Charmm-gui not providing an option to make a long box in one
direction. So is it fine increasing the box and adding the water in
Charmm-gui output pdb file and proceed?
Yes.
-Justin
--
Dear Justin,
Well, Charmm-gui not providing an option to make a long box in one
direction. So is it fine increasing the box and adding the water in
Charmm-gui output pdb file and proceed?
--
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On 8/1/17 10:01 AM, Alex Mathew wrote:
Dear all gromacs users,
I would like to build a protein-membrane system to perform umbrella
simulation; I need to calculate the molecule transportation by pulling it
from top to bottom. In the tutorial, it says "Some force fields include
everything you n
Dear all gromacs users,
I would like to build a protein-membrane system to perform umbrella
simulation; I need to calculate the molecule transportation by pulling it
from top to bottom. In the tutorial, it says "Some force fields include
everything you need. For instance, it is unwise to try to l
