Re: [gmx-users] sasa calculation with different gromacs versions

Rocco Caliandro wrote: Hi everybody, I found a discrepancy in the sasa calculation between gromacs versions 4.0.2 and 4.5.1. For a trajectory generated by gmx 4.0.2. with AMBER force fiels, I calculated the sasa values by using the g_sas module taken from gromacs 4.0.2 (a) and gromacs 4.5

[gmx-users] sasa calculation with different gromacs versions

Hi everybody, I found a discrepancy in the sasa calculation between gromacs versions 4.0.2 and 4.5.1. For a trajectory generated by gmx 4.0.2. with AMBER force fiels, I calculated the sasa values by using the g_sas module taken from gromacs 4.0.2 (a) and gromacs 4.5.1 (b). I list the results