-
```
What steps will reproduce the problem?
1. Entry 2KLR in NRG-CING
(http://nmr.cmbi.ru.nl/NRG-CING/data/kl/2klr/2klr.cing/2klr/HTML/summary.html)
What is the expected output? What do you see ins…
-
```
What steps will reproduce the problem?
1. Import BMRB CS into NRG-CING.
What is the expected output? What do you see instead?
http://nmr.cmbi.ru.nl/NRG-CING/prep/S/k1/2k1b/2k1b_starCS2Ccpn.log
us…
-
```
What steps will reproduce the problem?
1. Import BMRB CS into NRG-CING.
What is the expected output? What do you see instead?
http://nmr.cmbi.ru.nl/NRG-CING/prep/S/k1/2k1b/2k1b_starCS2Ccpn.log
us…
-
```
The berlin example needs to run at the end of the month.
Tim needs to provide it first though. Current version isn't final one we were
using on our code
jamming session yesterday.
```
Original…
-
```
The berlin example needs to run at the end of the month.
Tim needs to provide it first though. Current version isn't final one we were
using on our code
jamming session yesterday.
```
Original…
-
changes in chemical shifts due to hydrogen bonds are not calculated as they are not part of the camshift forcefield. This because they cause 'energy jumps'
however
1. they are required for chemical s…
-
```
Talos-predicted dihedral restraints are exported xplor for refinement along
with other dihedral restraint lists possibly also originating from talos+. As a
result, the forces on most dihedrals a…
-
Dear all,
we ran into a segmentation fault in cthyb starting from a particular G0 [6x6 block Gf] employing dfttools and the simple hk_converter. If there is a small shift in the k-mesh away from the …
-
shift calculations with an sh3 domain which included a pro were failing because xcamshift was trying to calculate shifts for the PRO N which is not included in the data from camshift
-
```
Talos-predicted dihedral restraints are exported xplor for refinement along
with other dihedral restraint lists possibly also originating from talos+. As a
result, the forces on most dihedrals a…