Daniel R. Roe
Daniel R. Roe
Should be addressed once #1037 is merged in. > I presume the vectors when loaded in say VMD will be s.t. they align w/ the all atom structure. Yes, they...
This has been merged and the new functionality is in version 6.19.6.
@tcbishop I just wanted to follow up and see if this functionality is working for you.
First, sorry that you're still encountering issues! I'll try to resolve them as soon as I can. > In terms of usage the "specified pairs" line is very long. Is...
> However, when I export the pdb and overlayed them, they are not the same. Hi - so it's not clear to me what your issue is. When you export...
> However, when I overlay the structures based on these dihedral angles, Im not getting the expected result. How are you overlaying the structures? If you are just using the...
Sorry for the delay in responding. > should lead to the same result right? No, `chin` is "nucleic acid chi" (see the manual for details). There is no preset for...
Hi, If I understand the questions correctly, the answer is yes, the bulk density is taken into account, but specifically for the data labeled 'norm' in the output (e.g. `Esw-norm`)....
Hi, > To me, I imagine the results were be reasonably similar, or am I missing something crucial? Depending on how flexible your protein is, the results may not vary...
> https://mailman-1.sys.kth.se/pipermail/gromacs.org_gmx-developers/2015-May/008300.html The `xdrfile` package seems like a good option, esp. since it's available with major Linux distros. It can be an optional package for people who want xtc support...