yes u are right they take a long time because they are TINKERS not GROMACS.....Originally posted by nigel123@29 March 2004 - 19:21
Sounds about right...those 400 WU's take a long time...
Originally posted by bulio@4 March 2004 - 18:14
wonderful prog, I on it now with k-lite team. I think it is great and will try to 24/7 it as my grand pa has cancer![]()
[16:33:48] PROJECT="work/wudata_01", NSTEPS=3225000, DT=2.0000, DTDUMP=25.000000, TEMP=298.00
[16:33:48] TINKER: Software Tools for Molecular Design