[gmx-users] two problems with gromacs 4.5.3

Sanku M msanku65 at yahoo.com
Mon Nov 22 20:55:01 CET 2010


When using gromacs 4.5.3, I experienced two problems ( neither of which exist in 
gromacs 4.0.7 or older version like 3.3.3)
  1. when issuing grompp command to start one of my  simulations, gromacs 4.5.3 
gives me fatal error:
      'can not find atom type SNa .'
  However, with gromacs 4.0.7 and gromacs 3.3.3, for the  same simulation , 
grompp runs smoothly ( as atom type SNa indeed exist in my directory).
I am not sure what is wrong with grompp in gromacs 4.5.3

2. when using g_density command , after processing data , gromacs 4.5.3 gives an 
error :
*** glibc detected *** double free or corruption (out): 0x00000000006d8ce0 ***

But, the same g_density with gromacs 4.0.7 and gromacs 3.3.3 works smoothly.

Any idea  will be appreciated .

-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20101122/80f2b6d5/attachment.html>

More information about the gromacs.org_gmx-users mailing list