[gmx-users] Can gmx change a, b of 3D pbc box but remain c in constant-NPT MD?

英雄不再寂寞 xiaowu759 at qq.com
Sat Mar 12 08:49:04 CET 2011

Dear gmxers,
    I want to perform a constant-NPT MD simulation using gmx. By default, a,b,c of 3D pbc box can change to compatile with the density. Whether can gmx change a,b of 3D pbc box but unchange c? Please give me some hints. Thanks a lot.
 Yours sincerely,
 Chaofu Wu, Dr.
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