Dear mark and justin hi,thank you for your advices. I want to make simulation peptide in 30%tfe.I get tfe.pdb and take tfe.gro from prodrug program.I make solvatedtfe.gro and the other solvatedspc.gro.then I make 30mol tfe and 70 spc in a file by hands.and then run genbox -f .....cs 3tfe70spc.gro ....this command run and it give me solvated peptide in 30tfe and 29spc.I surprised for number solvent (I expected near 1500to 3000 because peptide has 13 aa and box -d 0.7)any way I run grompp after edit topology file (the number solvents and add include tfe.itp).but it give error and this is answe:I dont find typeC and error in toputil .I check my topology file but I dont find error.please help me?
best karbalaee -- 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
