Hi sorry for the poor information. I have used PME with rlist = rcoulomb = rvdw = 0.9 (as I said) and the g_mindist is between the protein-protein system
thanks Regards, andrea David van der Spoel wrote: > [EMAIL PROTECTED] wrote: >> Hi all, >> my rlist = rcoulomb = rvdw = 0.9 and during my simulation I have mindist >> 0.968 at 460 ps over 2ns total. the starting point was 1.8 and the >> mindist fluctuates from 1 to 2. is it normal this kind of behaviour (so >> spread I mean)? the box and the volume seem okay. >> any help? >> >> thanks in advance >> an't post? Read http://www.gromacs.org/mailing_lists/users.php > > what mindist? > what cutoff? PME or not? > -- ------------------------------- Andrea Spitaleri PhD Dulbecco Telethon Institute c/o DIBIT Scientific Institute Biomolecular NMR, 1B4 Via Olgettina 58 20132 Milano (Italy) http://biomolecularnmr.ihsr.dom/ ------------------------------- ******************************************************************** Sostieni la ricerca del San Raffaele con il 5permille! E' SEMPLICE E NON COSTA NULLA. Basta indicare nell'apposito riquadro della dichiarazione dei redditi ("Ricerca sanitaria") il codice fiscale della Fondazione Centro S. Raffaele del Monte Tabor: 03 06 42 80 153 e ricordarsi di firmare. Se vuoi saperne di piu' scrivi a [EMAIL PROTECTED] o vai sul sito www.5xmille.org _______________________________________________ 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
