[EMAIL PROTECTED] wrote:
pS: the attachement is the md.log. You can clearly see that the average
energy is so different with the energy in each frame in it.
Please don't use .rar format archives - they're primarily a Windows
archive format. You're speaking to people whose usual
Second: Am I simulating fixed connections?
No
I once wrote in a mail in may I think:
This may be a really simple question, I know, but still...
How can I set up a fixed connection between two atoms of a molecule? When I
choose the 5th bondtype in my topology-file I get the following
Hi,
I just have a couple of things i want to clarify about the constrain
distances i used. The distance I used to pull the ligand and receptor
apart was a non-bonded distance between the amide nitrogen of the ligand
and the oxygen carbonyl of the receptor (on both ends). looking at the
Hello, gmx-users.Today I tried to construct a lipid bilayer through a single
lipid. The process is like this:
1. editconf -f lipid.pdb -princ -c -box 0.8 0.8 3.0 -o lipid.gro
2. genconf -f lipid.gro -nbox 4 4 1 -o box.gro
3. modified vanderwals radii in the vanradii.dat in the top folder
Hello, gmx-users.Today I tried to construct a lipid bilayer through a single
lipid. The process is like this:
1. editconf -f lipid.pdb -princ -c -box 0.8 0.8 3.0 -o lipid.gro
2. genconf -f lipid.gro -nbox 4 4 1 -o box.gro
3. modified vanderwals radii in the vanradii.dat in the top folder
Hello, gmx-users.Today I tried to construct a lipid bilayer through a single
lipid. The process is like this:
1. editconf -f lipid.pdb -princ -c -box 0.8 0.8 3.0 -o lipid.gro
2. genconf -f lipid.gro -nbox 4 4 1 -o box.gro
3. modified vanderwals radii in the vanradii.dat in the top folder
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