subject:"\[gmx\-users\] Heme group in the forcefield gromos53a6"

Re: [gmx-users] Heme group in the forcefield gromos53a6

2011-01-18 Thread Justin A. Lemkul

Tanos Celmar Costa Franca wrote: Dear users, We are trying to perform a MD simulation of a protein with a heme group using the gromos53a6 force field but when trying to run grompp we receive the error mesage: Program grompp, VERSION 4.0.3 Source code file: ../../../../src/kernel/toppush.c, l

[gmx-users] Heme group in the forcefield gromos53a6

2011-01-18 Thread Tanos Celmar Costa Franca

Dear users, We are trying to perform a MD simulation of a protein with a heme group using the gromos53a6 force field but when trying to run grompp we receive the error mesage: Program grompp, VERSION 4.0.3 Source code file: ../../../../src/kernel/toppush.c, line: 947 Fatal error: Atomtype FE