Hi Mark,
Thanks (again, again) for your input!
On Fri, Nov 12, 2010 at 5:35 PM, Mark Abraham mark.abra...@anu.edu.auwrote:
On 13/11/2010 12:49 AM, Martin Kamp Jensen wrote:
Hi,
As far as I understand, a topology (a .top file) and a conformation
(e.g., a .gro file) contain enough
On 15/11/2010 4:13 AM, Martin Kamp Jensen wrote:
Hi Mark,
Thanks (again, again) for your input!
On Fri, Nov 12, 2010 at 5:35 PM, Mark Abraham mark.abra...@anu.edu.au
mailto:mark.abra...@anu.edu.au wrote:
On 13/11/2010 12:49 AM, Martin Kamp Jensen wrote:
Hi,
As far as I
Hi,
As far as I understand, a topology (a .top file) and a conformation (e.g., a
.gro file) contain enough information to calculate the torsion angles of
that specific conformation.
Table 5.5 (page 124) in the GROMACS manual[1] describes possible
interactions (which are contained in the
On 13/11/2010 12:49 AM, Martin Kamp Jensen wrote:
Hi,
As far as I understand, a topology (a .top file) and a conformation
(e.g., a .gro file) contain enough information to calculate the
torsion angles of that specific conformation.
Table 5.5 (page 124) in the GROMACS manual[1] describes
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