[gmx-users] Protein-membrane system

regards, == = Aldo Segura-Cabrera Laboratorio de Bioinformática Centro de Biotecnología Genómica Instituto Politécnico Nacional Blvd. Del Maestro esquina Elías Piña, 88710 Reynosa, Tamaulipas, México. (899)9243627 ext. 87747 e-mail: asegu...@ipn.mx; aldoseg

[gmx-users] Umbrella sampling for protein-drug system

   = distance? Thanks in advance, === Aldo Segura-Cabrera Laboratorio de Bioinformática Centro de Biotecnología Genómica Instituto Politécnico Nacional Blvd. Del Maestro esquina Elías Piña, 88710 Reynosa, Tamaulipas, México. (899)9243627 ext. 87747 e-mail: asegu

Re: [gmx-users] Acpype error

? Best regards, Aldo ======= Aldo Segura-Cabrera Laboratorio de Bioinformática Centro de Biotecnología Genómica Instituto Politécnico Nacional Blvd. Del Maestro esquina Elías Piña, 88710 Reynosa, Tamaulipas, México. (899)9243627 ext. 87747 e-mail: asegu...@

Re: [gmx-users] re: Acpype error

nstall it. Regards,   Aldo======= Aldo Segura-Cabrera Laboratorio de Bioinformática Centro de Biotecnología Genómica Instituto Politécnico Nacional Blvd. Del Maestro esquina Elías Piña, 88710 Reynosa, Tamaulipas, México. (899)9243627 ext. 87747 e-mail: asegu..

Re: [gmx-users] Docking

and verify if the results improve according to what you expected. However, as mentioned by Mark, simulations and calculations like these involve much computational resources and time.   Best regards, Aldo === Aldo Segura-Cabrera Laboratorio de Bioinformática

Re: [gmx-users] simulation with ligand at the active site

Previously, something like happened to me, the solution that worked for me was to use acpype (code.google.com/p/acpype) and Amber FF. In this way, you could rule out problems related to the prodrg parameters. Best regards, Aldo === Aldo Segura-Cabrera

[gmx-users] Help with B2AR within the POPC membrane

tions (yes/no) Best regards, Aldo Segura-Cabrera Laboratorio de Bioinformática Centro de Biotecnología Genómica Instituto Politécnico Nacional Blvd. Del Maestro esquina Elías Piña, 88710 Reynosa, Tamaulipas, México. (899)9243627 ext. 87747 e-mail: asegu...@ipn.mx; aldoseg...@gmail.com -- gmx-users

Re: [gmx-users] Help with B2AR within the POPC membrane

oblem. Best regards, Aldo Segura-Cabrera Laboratorio de Bioinformática Centro de Biotecnología Genómica Instituto Politécnico Nacional Blvd. Del Maestro esquina Elías Piña, 88710 Reynosa, Tamaulipas, México. (899)9243627 ext. 87747 e-mail: asegu...@ipn.mx; aldoseg...@gmail.com -- gmx-users mailing

Re: [gmx-users] Help with B2AR within the POPC membrane

Dear Justin, You're right, I corrected the box vectors , and it works! Thanks, -- gmx-users mailing listgmx-users@gromacs.org 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 pos