[gmx-users] re: ciis peptide linkage

th the rare cis peptide bond in a protein? It reports "unusual bond between e.g. 193(protein) and 194(none) and the VMD viewer places the residue to the side of the box. Any thoughts? Frank Neuhaus Northwestern Univ. -- gmx-users mailing listgmx-users@gromacs.org http://lists.gromacs.org/

[gmx-users] re: simulation-rigid

file does not help me. I am looking for a script that I can write into my mdp files that restricts all simulation in these five residues. Can anyone help me with this little issue? Thank you. Frank Neuhaus -- gmx-users mailing listgmx-users@gromacs.org http://lists.gromacs.org/mailman

[gmx-users] re: Gromos96 43A1

have the impression that PRODRG is probably not the way to go. Are there other possibilities? or should I stick to 43A1? Comment Thx. Frank Neuhaus -- gmx-users mailing listgmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http