Hi gromacs users, I am a new user to gromacs and realise that there are lots of comments on the archive already about using gromacs with amber outputs but I am getting rather mixed messages.
I would like to clarify a few things. I have an Amber trjectory file saved through VMD in a .pdb format and a pdb file for the topology. I see that some say that one should convert the trajectory file, some say that gromacs reads .pdb and others mention changing the extension to .g87 and so on. My main question is about the fact that amber works in Angstroms and gromacs in nm. Should I convert my trajectory.pdb and topology.pdb to nm before carrying out principal component analysis? I would be grateful for any comments. Thank you in advance, Nadia Vahdati J.W.Essex group University of Southampton UK. _______________________________________________ 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
