Hi, Charles, Thank you so much for your reply. The reason why we need to restart trajectory is, we are running a very long simulation using IVM (~1 micro second). Unfortunately we came across power outage several times this year in our building...
All the best, Yi Charles at Schwieters.org wrote: > -----BEGIN PGP SIGNED MESSAGE----- > Hash: SHA1 > > > Hello Yi Xue-- > > >> Is there anyone who knows how to restart a trajectory in torsional angle >> dynamics. I know it is doable in "dynamics verlet" or "dynamics langevin". >> But I cannot figure out how to do it for "dynamics internal" which is >> torsional angle dynamics included in IVM module. >> >> > > The IVM doesn't currently have restart capabilities, but it could be > added without too much difficulty. I'm curious, though: why is this > feature useful for you? > > best regards-- > Charles > -----BEGIN PGP SIGNATURE----- > Version: GnuPG v1.4.9 (GNU/Linux) > Comment: Processed by Mailcrypt 3.5.8+ <http://mailcrypt.sourceforge.net/> > > iD8DBQFIvph8PK2zrJwS/lYRArnrAJ9yYg9Hq9T4u/NGjOaBw5luk1JCGwCdGPgI > YsMvMnWUsWuk9zxTf5UmJf8= > =Nwl5 > -----END PGP SIGNATURE----- >
