Hi Tsjerk,
There is no rush and I really can use the copies of the box.
But as you insist I'll send you the gro file off list.
XAvier.
On Jan 26, 2009, at 9:06 PM, Tsjerk Wassenaar wrote:
Hi Xavier,
By when do you need it? You can send me one frame ( .gro) and I can
see what I can do. But
Hi Xavier,
By when do you need it? You can send me one frame ( .gro) and I can
see what I can do. But no guarantees, and no time indication :(
Cheers,
Tsjerk
On Mon, Jan 26, 2009 at 7:11 PM, XAvier Periole wrote:
>
> On Jan 26, 2009, at 12:58 PM, Tsjerk Wassenaar wrote:
>
>> Hi XAvier,
>>
>> U
On Jan 26, 2009, at 12:58 PM, Tsjerk Wassenaar wrote:
Hi XAvier,
Unfortunately, you're out of luck. The coordinates do not contain
information regarding the proper orientation with respect to the
coordinate system.
No they don't.
May be I should have mentioned that I know for each
conformati
Hi XAvier,
Unfortunately, you're out of luck. The coordinates do not contain
information regarding the proper orientation with respect to the
coordinate system.
That's the short answer. I guess you did save all atoms, at least of
proteins and lipids, in which case you could do a search for a
rota
Dears,
I need to rerun a trajectory that has been rotated to orient a molecule
according to a reference. The pbc are therefore broken.
Would anyone know how to restore the correct position of the atoms
inside
the unit cell after the rotation is applied. The rotation is actually
applied arou
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