HI, I want to simulate helical peptide in TFE-water (1:1 vol) solvent.
1. From previous searches, I got to know that tfe.itp is present in gmx.ff folder. Can I use this itp file by including it in my top file generated during pdb2gmx. 2. I also got TFE-water (1:1 vol) pdb and gro pre-equilibrated system from ATB site. I dont know if I can use either this pdb or gro file during genbox step for -cs flag Can anyone help me out in this regard. Thanks in advance. Regards, Archana Sonawani-Jagtap Senior Research Fellow, Biomedical Informatics Centre, NIRRH (ICMR), Parel Mumbai, India. 9960791339 -- gmx-users mailing list gmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posting! * Please don't post (un)subscribe requests to the list. Use the www interface or send it to gmx-users-requ...@gromacs.org. * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
