[gmx-users] trjconv error

Rama ramkishna72 at gmail.com
Thu Nov 21 23:51:21 CET 2013


Hi

After MD run, lipids are broken at the boundaries. I'm trying to fix
trajectory by following command

trjconv -f a.trr -o a1.trr -s b.tpr -pbc mol

then I use a1.trr file(output file from above command) to make snapshots by
following command: 

trjconv -s b.tpr -f a1.trr -o c.gro -skip 5 -sep

it shows some fatal error:
Fatal error:
Index[8271] 8272 is larger than the number of atoms in the
trajectory file (8271). There is a mismatch in the contents
of your -f, -s and/or -n files.

and I even tried same command with a.trr file it works well for snapshots
but lipids at boundaries are broken.

thanks



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