On 9/1/19 5:35 AM, Negar Parvizi wrote:
Dear all,
I used Justin tutorial(Tutorial 3: Umbrella Sampling: GROMACS Tutorial ) for my
file which is protein-ligand complex.
The pulling force was in Y direction. when Umbrella sampling finished, "Wham"
couldn't analysis the data because wham is
Dear all,
I used Justin's tutorial(Tutorial 3: Umbrella Sampling: GROMACS Tutorial ) for
my file which is protein-ligand complex.
The pulling force was in Y direction. when Umbrella sampling finished, "Wham"
couldn't analysis the data because wham is in z direction.what should I do now
for wham
Dear all,
I used Justin tutorial(Tutorial 3: Umbrella Sampling: GROMACS Tutorial ) for my
file which is protein-ligand complex.
The pulling force was in Y direction. when Umbrella sampling finished, "Wham"
couldn't analysis the data because wham is in z direction.what should I do now
for wham
Hi,
you can also use the pullf output for WHAM (option -if), this may be easier.
Cheers, Jochen
Am 26.08.19 um 12:59 schrieb Negar Parvizi:
Dear all,I used Justin's tutorial(Tutorial 3: Umbrella Sampling: GROMACS
Tutorial ) for my file which is protein-ligand complex.
The pulling force
Hi,
>
> Dear all,I used Justin's tutorial(Tutorial 3: Umbrella Sampling: GROMACS
> Tutorial ) for my file which is protein-ligand complex.
> The pulling force was in Y direction. when Umbrella sampling finished,
> "Wham" couldn't analysis the data because wham is in z direction.what
> should I
Dear all,I used Justin's tutorial(Tutorial 3: Umbrella Sampling: GROMACS
Tutorial ) for my file which is protein-ligand complex.
The pulling force was in Y direction. when Umbrella sampling finished, "Wham"
couldn't analysis the data because wham is in z direction.what should I do now
for
On 8/18/19 5:10 AM, Negar Parvizi wrote:
Dear all, I used Justin's tutorial(Tutorial 3: Umbrella Sampling: GROMACS
Tutorial ) for my file which is protein-ligand complex.
The pulling force was in Y direction. when Umbrella sampling finished, "Wham"
couldn't analysis the data because wham is
Dear all, I used Justin's tutorial(Tutorial 3: Umbrella Sampling: GROMACS
Tutorial ) for my file which is protein-ligand complex.
The pulling force was in Y direction. when Umbrella sampling finished, "Wham"
couldn't analysis the data because wham is in z direction.what should I do now
for wham
