[gmx-users] lipid.itp for AMBER-GAFF

ds, Henry -------- Henry Hocking, PhD Utrecht University Bijvoet Center for Biomolecular Research Padualaan 8 3584 CH Utrecht, The Netherlands Phone: +31-30-2532875 Fax: +31-30-253 7623 E-mail: h.g.hock...@uu.nl -- gmx-users mailing listgmx-users@gromacs.org http://lists.gromacs.o

Re: [gmx-users] pyroglutamate in gromos53a6

'Protein'. I think that should solve it. Groetjes, Tsjerk On Thu, Nov 24, 2011 at 6:59 PM, Henry Hocking wrote: Thank you Tsjerk, I am now trying with amber99.ff but have encountered the following problem: My PCA is at the N-terminus. I have an entry for [ NPCA ] in aminoacids.rt

Re: [gmx-users] pyroglutamate in gromos53a6

, as for the G53a6 FF you need to choose parameters giving the right free enthalpy of solvation. Groetjes, Tsjerk On Tue, Nov 22, 2011 at 5:10 PM, Henry Hocking wrote: Dear all, Where can I find gromos53a6.ff parameters for pyroglutamate (PCA/ PGLU/ PGA) ? Alternatively, given that I ha

[gmx-users] pyroglutamate in gromos53a6

Henry Henry Hocking, PhD Utrecht University Bijvoet Center for Biomolecular Research Padualaan 8 3584 CH Utrecht, The Netherlands Phone: +31-30-2532875 Fax: +31-30-253 7623 E-mail: h.g.hock...@uu.nl -- gmx-users mailing listgmx-users@gromacs.org

[gmx-users] N-terminal PGLU and C-term amidation

and rtp". How would I solve this? Regards, Henry -------- Henry Hocking, PhD Utrecht University Bijvoet Center for Biomolecular Research Padualaan 8 3584 CH Utrecht, The Netherlands Phone: +31-30-2532875 Fax: +31-30-253 7623 E-mail: h.g.hock.