한상화 wrote: > Thank you Mark. > The method you suggest is exactly what I tried. > I prepared a structure of two molecules in which the S...S distance was > made to be 0.206 nm (this value is within the tolerance). > But when I ran pdb2gmx -ignh -ss, it only asked me to form intramolecular > disulfides. It did not ask for intermolecular disulfide.
Try reading about the -merge option for pdb2gmx. For the record, I don't appreciate being asked to provide instructions for a procedure, and then to be told you've apparently done just that before asking for someone to describe the procedure. You will get a far better response from a wider range of people, if you document your procedure and ask for feedback and criticism. Further, the person providing the free help doesn't get made to feel like they were wasting their time re-doing your work. Mark _______________________________________________ gmx-users mailing list gmx-users@gromacs.org http://www.gromacs.org/mailman/listinfo/gmx-users 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
