That’s a good suggestion, Mark. Will do :-)
Thanks
Anthony
Dr Anthony Nash
Department of Chemistry
University College London
Skeletal Tissue Dynamics Group
Committee member of London Matrix Group @LondonMatrixGrp
On 03/10/2016 12:03, "gromacs.org_gmx-users-boun...@maillist.sys.kth.se on
beh
Hi,
Sounds like you could check the output from that tool, and if it gave no
warning (or offers you no way to choose another rotamer) then you could
make some constructive feedback to its authors :-)
Mark
On Mon, 3 Oct 2016 11:22 Nash, Anthony wrote:
>
> Hi Justin,
>
>
> I’ve tried out all of
Hi Justin,
I’ve tried out all of your suggestions, they worked to an extent but the
in vacu idea was a good call as it’s actually helped me isolate what the
real problem is: I-TASSER has put the C-N backbone bond of two residues
through the ring of an adjacent PHE residue!
Thanks
Anthony
On
Please don't reply to digests or unrelated threads when starting a new topic; it
creates a mess in the archive.
On 10/2/16 6:11 PM, Nash, Anthony wrote:
Hi all,
I had a homology/de-novo model .pdb converted into .gro, solvated,
neutralised and now I¹m going through a series of energy minimis
Hi all,
I had a homology/de-novo model .pdb converted into .gro, solvated,
neutralised and now I¹m going through a series of energy minimisation
steps. Unfortunately, during energy minimisation I get LINCS WARNINGS
(angle relative constraint deviation). The the naked eye, the atoms
involved don¹t
