[gmx-users] the Pressure control in GROMACS 4.0.7

[zhongjin]

Dear users,
        I think the pressure control in gromacs 4.0.7 may have some problems. First ,The pressure value fluctuates widely ,even between -7984.377930 and 5920.053711 bar.Second,the average pressure sometimes is much larger than what I have set,for example, I have set ref_p  = 1.0 , but the average is actually over 7 bar. It is because I have not set properly , or something else?
Zhongjin He


      
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20100710/9b53196f/attachment.html>