On 9/28/14 7:41 AM, James Starlight wrote:
Thank you very much for the suggestion! How do you think are there any drammatic differences between different preassure coupling (barostats) methods implemented not only in Gromacs but in other md packages like amber and namd? What barostat will be better for memrbane protein simulation ?
I suspect if there were any "dramatic" differences in results, someone would have published a systematic study concluding as much.
I have only ever used Gromacs for membrane systems, so I have only ever used the Parrinello-Rahman barostat.
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