[gmx-users] ngmx doesnot work; CH3-CH2-OH

gromacs ptf1242 at 163.com
Mon Jan 31 01:15:01 CET 2011

Hi Everyone,
Program ngmx, VERSION 4.0.7
Source code file: ../../../../src/gmxlib/tpxio.c, line: 1708

Fatal error:
reading tpx file (md1.tpr) version 73 with version 58 program

I installed 4.0.7 before, and now i installed 4.5.3. How can i use ngmx now?
 The second question is running C2H5OH (ethanol). It should be 9 atoms per molecule. But i download the .top using PRDUG, the C2H5OH has 4 atoms. So i can still run, but some H atoms are ingored. Is it still no problem?
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20110131/445b8ee5/attachment.html>

More information about the gromacs.org_gmx-users mailing list