GROMACS development

09/25/2019

12:33 PM GROMACS Bug #3070: make_ndx not recognizing different chains

Paul Bauer wrote:
> @Cathrine, can you also upload sample inputs so I can fully reproduce this to fix the bug?
Hi...

09/02/2019

11:11 AM GROMACS Bug #3070 (Closed): make_ndx not recognizing different chains

I wanted to use make_ndx to select a subunit of a pentameric ion channel, but in 2019.3 I still get atoms from all su...

07/19/2019

04:42 PM GROMACS Feature #3045 (New): Option to remove v-sites in trjconv?

Could there be an option to remove v-sites in trjconv? E.g. that v-sites are removed, if they exist, when option 2) P...

03/29/2019

10:51 AM GROMACS Feature #2911 (Closed): grompp cryptic error message

I got a syntax error from one of my files when running grompp. The message was a bit cryptic. Would it be possible to...