>If you're proceeding blindly, then you're likely going to frustrate yourself
>to
>no end. There is literature relevant to what you're doing - pulling on
>peptides/proteins to unfold them is something that's been done. So you should
>have some methodological precedent.
>"Non-Protein" is a default group that should have been written to the .ndx
>file
>by make_ndx. The only reason I can see for this error to come up is if you've
>removed it from the pull.ndx file. If you're using my .mdp file, then
>Non-Protein is a temperature coupling group.
>-Justin
I know there is literature relevant but is there any that explains how to do it
in Gromacs?
--
gmx-users mailing list [email protected]
http://lists.gromacs.org/mailman/listinfo/gmx-users
Please search the archive at
http://www.gromacs.org/Support/Mailing_Lists/Search before posting!
Please don't post (un)subscribe requests to the list. Use the
www interface or send it to [email protected].
Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
