Hi, I added three zeros to it. Still I am getting the same error.
shankari -----Original Message----- From: [EMAIL PROTECTED] [mailto:[EMAIL PROTECTED] On Behalf Of Tsjerk Wassenaar Sent: Monday, December 18, 2006 7:51 PM To: Discussion list for GROMACS users Subject: Re: [gmx-users] Can we run a NPT simulation with fixed lengths inxand y direction? Hi Sankari, You missed the off-diagonal elements. Just add three zeroes more for compressibility. Cheers, Tsjerk On 12/18/06, Sivashangari Gnanasambandam <[EMAIL PROTECTED]> wrote: > Hi, everyone > I am running anisotropic pressure coupling as shown below > > ;Pressure coupling > Pcoupl = berendsen > Pcoupltype = anisotropic > tau_p = 5.0 > compressibility = 0 0 1e-5 > ref_p = 1.0 > > It shows error that it need 6 values. Kindly suggest me how to give > the input parameter for anisotropic pressure coupling. > > Thank you, > Sankari > > -----Original Message----- > From: [EMAIL PROTECTED] > [mailto:[EMAIL PROTECTED] On Behalf Of David van der > Spoel > Sent: Monday, December 18, 2006 3:50 PM > To: Discussion list for GROMACS users > Subject: Re: [gmx-users] Can we run a NPT simulation with fixed > lengths inx and y direction? > > Hu Zhongqiao wrote: > > Hi, everyone > > > > Can we run a NPT simulation with fixed lengths in x and y direction > > but with variable length in z? > > > > Zhongqiao Hu > > > > Lab E5-04-27 > > Tel: 65161946(O) > > Department of Chemical and Biomolecular Engineering National > > University of Singapore 117576, Singapore > > > > > > > > > > -------------------------------------------------------------------- > > -- > > -- > > > > _______________________________________________ > > gmx-users mailing list gmx-users@gromacs.org > > http://www.gromacs.org/mailman/listinfo/gmx-users > > Please don't post (un)subscribe requests to the list. Use the www > > interface or send it to [EMAIL PROTECTED] > > Can't post? Read http://www.gromacs.org/mailing_lists/users.php > yes. use compressibility = 0 0 1e-5 > > > -- > David. > ______________________________________________________________________ > __ David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group, > Dept. of Cell and Molecular Biology, Uppsala University. > Husargatan 3, Box 596, 75124 Uppsala, Sweden > phone: 46 18 471 4205 fax: 46 18 511 755 > [EMAIL PROTECTED] [EMAIL PROTECTED] http://folding.bmc.uu.se > ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ > _______________________________________________ > gmx-users mailing list gmx-users@gromacs.org > http://www.gromacs.org/mailman/listinfo/gmx-users > Please don't post (un)subscribe requests to the list. Use the www > interface or send it to [EMAIL PROTECTED] > Can't post? Read http://www.gromacs.org/mailing_lists/users.php > _______________________________________________ > gmx-users mailing list gmx-users@gromacs.org > http://www.gromacs.org/mailman/listinfo/gmx-users > Please don't post (un)subscribe requests to the list. Use the www > interface or send it to [EMAIL PROTECTED] > Can't post? Read http://www.gromacs.org/mailing_lists/users.php > -- Tsjerk A. Wassenaar, Ph.D. Junior UD (post-doc) Biomolecular NMR, Bijvoet Center Utrecht University Padualaan 8 3584 CH Utrecht The Netherlands P: +31-30-2539931 F: +31-30-2537623 _______________________________________________ gmx-users mailing list gmx-users@gromacs.org http://www.gromacs.org/mailman/listinfo/gmx-users Please don't post (un)subscribe requests to the list. Use the www interface or send it to [EMAIL PROTECTED] Can't post? Read http://www.gromacs.org/mailing_lists/users.php _______________________________________________ gmx-users mailing list gmx-users@gromacs.org http://www.gromacs.org/mailman/listinfo/gmx-users Please don't post (un)subscribe requests to the list. Use the www interface or send it to [EMAIL PROTECTED] Can't post? Read http://www.gromacs.org/mailing_lists/users.php