[gmx-users] Re: topology and coordinate file not matching after grompp
cma1g09 at soton.ac.uk
Wed Jul 31 16:07:31 CEST 2013
Thanks Justin. So, I've understood how to calculate the number of
coordinates. That in the topology file matches the amount I calculated (as
per how you just taught me).
I want to put 2 proteins in the same box. I did this by changing the
topology files of the respective proteins to itp. Then a new top file was
made in which the itp files were included. I pasted the contents earlier.
After this, performed editconf separately on each .gro file and combined
them together. then I solvated them. Right before neutralising using genion,
while using grompp to get the tpr file is where the error about the mismatch
How can I solve this? I've tried making sure my topology file is updated at
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