Re: [gmx-users] FEP for amino acid mutations

a LEU... Thank you for any hint you could give me! matteo > Date: Wed, 16 Jun 2010 15:17:30 +0200 > From: Matteo De Chiara > Subject: Re: [gmx-users] FEP for amino acid mutations. > To: gmx-users@gromacs.org > Message-ID: >         > Content-Type: text/plain; charset=ISO-8859-

Re: [gmx-users] FEP for amino acid mutations.

- > When the only tool you own is a hammer, every problem begins to resemble > a nail. > >> -Original Message- >> From: gmx-users-boun...@gromacs.org [mailto:gmx-users- >> boun...@gromacs.org] On Behalf Of Matteo De Chiara >> Sent: Monday, 14 June 20

[gmx-users] FEP for amino acid mutations.

). Of course, in this case, I will create a new amino acid type identical to the one I would like to mutate in order to act only on the amino acid in a specific position. Thanks for your help! matteo -- Ph.D. Student Matteo De Chiara Dept. of Molecular Biology, University of Siena Via

[gmx-users] Lambda and simulation problem

sorrounding without apparent problems. How could it be? Can someone help me? Thank you! -- Ph.D. Student Matteo De Chiara Dept. of Molecular Biology, University of Siena Via Fiorentina 1, 53100 Siena Italy -- gmx-users mailing listgmx-users@gromacs.org http://lists.gromacs.org/mailman

[gmx-users] Free Energy Perturbation plot: symmetry breaking?

occurs. Is this interpretation correct? If it is, can someone explain me how and why this happened? In case, could this be a source of errors or artefacts in my analysis? And, in case, can someone suggest me how to solve my problem? Thanks a lot. Cheers, -- Matteo De Chiara Ph.D. Studen