David van der Spoel wrote:
ASHWINI JAYAPRAKASH wrote:
Hi Mark,
I have used pdb2gmx to create the topology file with the option of
-missing,also I have deleted the HEATOM that were there in the pdb
file. Will these be a problem later?
Now when I run grompp I am getting the error
"Atomtype 'opls_135' not found!" .............
as you see there is a problem.
read chapter 5 of the manual. you may be combining different force
fields in the wrong way, but you are not giving any useful information .
Yeah, that. Also you might want to read
http://wiki.gromacs.org/index.php/Parameterization
Mark
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