[gmx-users] tfe

shahrbanoo karbalaee shahrbanoo at gmail.com
Thu Aug 14 12:05:26 CEST 2008

Dear justin  and mark
hi again
 I  work in tfe.pdb with polar hydrogen from prodrg.and with commnad
genbox -cp -- ci tfe.gro  -nmol  50 -o mtfe.gro  AND    command genbox
-cp mtfe.gro -cs  -out2
make the file peptide ,tfe ,water .then by change number the mole it
will make 30%.and edit topology file with add include tfe.itp and
correct the num solvents.
now the run grompp but I get error that I donot find tfe.itp.what do I
do.the sentence error is no such molecule type TFE.and source code
file toppush .c line 1396.



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