[gmx-users] using gromacs for protein site-mutagenesis study

While replacing large amino acids to small ones may be easy (simply removing redundant atoms=rows in PDB), but how about the reverse direction? Would anybody has any ideas in re-supplementing missing atoms (e.g. glycine to tryptophan)? Thanks a lot __

[gmx-users] how to define small in RMSD

Is there any reference to claim two structures are similar by measuring RMSD? E..g rmsd < 2 is similar ? ___ gmx-users mailing listgmx-users@gromacs.org http://www.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromac

RE: [gmx-users] M*tif installation

for GROMACS users Subject: Re: [gmx-users] M*tif installation Ross KK Leung wrote: > Using google returns no good results, would anybody help me about this? > Configure grace did not succeed.. > > Having no idea what you're doing, I doubt anyone here can provide any useful adv

[gmx-users] M*tif installation

Using google returns no good results, would anybody help me about this? Configure grace did not succeed.. ___ gmx-users mailing listgmx-users@gromacs.org http://www.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gro

[gmx-users] unable to run md after installing another gromacs 3.3.3 after 3.3.2

Dear all, I have both old 3.3.2 and new 3.3.3 gromacs installed and I don't know how to uninstall the old one. Is there any good solution to it? Because I keep getting "segmentation fault" due to inappropriate configuration, I guess. Thanks a lot ___ g