[gmx-users] Re: topology and coordinate file not matching after grompp

[chinnu657]

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
happens. 

How can I solve this? I've tried making sure my topology file is updated at
every stage.

Kind Regards,
Chinnu





--
View this message in context: http://gromacs.5086.x6.nabble.com/topology-and-coordinate-file-not-matching-after-grompp-tp5010221p5010236.html
Sent from the GROMACS Users Forum mailing list archive at Nabble.com.