Hi,
On Tuesday, 29. January 2008 13:14, servaas michielssens wrote:
> I made a mistake in the numbers, but the question remains:
>
> I ran the following command in gromacs:
> editconf -bt dodecahedron -f p61_vac_gro.gro -o p61_vac_dod.gro -d 0.8
With -d and a triclinic box the size of the system
On Tue, 29 Jan 2008 12:57:13 +0100
"servaas michielssens" <[EMAIL PROTECTED]> wrote:
I ran the following command in gromacs:
editconf -bt dodecahedron -f p61_vac_gro.gro -o p61_vac_dod.gro -d 0.8
The equivalent command in amber:
solvateoct p61_vac.pdb TIP3PBOX 8.0
As far as I understand this,
On Tue, 29 Jan 2008 13:14:21 +0100
"servaas michielssens" <[EMAIL PROTECTED]> wrote:
I made a mistake in the numbers, but the question remains:
I ran the following command in gromacs:
editconf -bt dodecahedron -f p61_vac_gro.gro -o p61_vac_dod.gro -d 0.8
The equivalent command in amber:
solvat
servaas michielssens wrote:
I made a mistake in the numbers, but the question remains:
I ran the following command in gromacs:
editconf -bt dodecahedron -f p61_vac_gro.gro -o p61_vac_dod.gro -d 0.8
The equivalent command in amber:
solvateoct p61_vac.pdb TIP3PBOX 8.0
As far as I understand
I ran the following command in gromacs:
editconf -bt dodecahedron -f p61_vac_gro.gro -o p61_vac_dod.gro -d 0.8
The equivalent command in amber:
solvateoct p61_vac.pdb TIP3PBOX 8.0
As far as I understand this, both command created a box were the edges are 0.8
nm away from the solute. But the resu
I made a mistake in the numbers, but the question remains:
I ran the following command in gromacs:
editconf -bt dodecahedron -f p61_vac_gro.gro -o p61_vac_dod.gro -d 0.8
The equivalent command in amber:
solvateoct p61_vac.pdb TIP3PBOX 8.0
As far as I understand this, both command created a box w
6 matches
Mail list logo
