<DIV>Hi, experts,</DIV>
<DIV> </DIV>
<DIV>I'd like to calculate the surface tension at water-air interface using Gromacs.</DIV>
<DIV>which ensemble should i choose?</DIV>
<DIV> when i run simulation, .mdp how can i select p-coupling?</DIV>
<DIV> </DIV>
<DIV>whether should i use p-coupling?</DIV>
<DIV> </DIV>
<DIV>I can creat a air-water-air structure (.gro)</DIV>
<DIV> </DIV>
<DIV>Thanks? </DIV><br><br><span title="neteasefooter"><span id="netease_mail_footer"><hr/>
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