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.
best -- sh-karbalaee _______________________________________________ gmx-users mailing list gmx-users@gromacs.org http://www.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to [EMAIL PROTECTED] Can't post? Read http://www.gromacs.org/mailing_lists/users.php
