[gmx-users] hi

santosh naik btsanty at gmail.com
Sat Apr 1 13:42:36 CEST 2006

Hello friends again i have faced the problem

this time i have taken the Hydrolase  ( TRYPSIN BEFORE A HIGH DOSE
X-RAY "BURN") .i have taken the pdb file.
i have edited the pdb file in the text editor
i have removed all the hetero atoms and
and put them in the dundee prodrg server and collected the archieves
then i vave puted the pdb file containing only amino acid residue
informations in to the pdb2gmax and got  gromos and top file later i
have edited the gro file using the archieve from the server which
contain the gromos format of the hetero atom then i have edited the
top file using the itp file of collected archieve archieve and put
them in editconf and genbox. but when i run the grompp it shows the
error like the atom CR61 was not found
can anyone help me over this

thanking you
 santosh naik

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