Hi,
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 ***
Aborted
But, the same g_density with gromacs 4.0.7 and gromacs 3.3.3 works smoothly.
Any idea will be appreciated .
Sanku
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