[gmx-users] tfe.gro file and generation of .itp file
prasun30 at gmail.com
Sat Jul 12 07:53:10 CEST 2008
Dear Tsjerk A
I am not getting you what you have told.I tried to do it by another way
also.first generate the box of dimension 3 with 10 molecules of TFE and then
create the gro file one by one for every 10 molecules put it in the one file
and saved it as tfe.gro.it works well till genbox,but after that for grompp
its not workin givin error like TFE is not a defined molecule or cannot find
force field for F molecule.So can you please send me the detail procedure
please.Apart from this i am interested in learning how to create .itp
file,can you please suggest any method.
waiting for your reply
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