Baofu Qiao wrote:
mdrun -s topol.tpr
I think that is exactly the problem. Either "mdrun -s topol.tpr" or simply
"mdrun" is being invoked (to use default I/O names), but topol.tpr does not
exist, so mdrun fails. Hence why it is important to always include the command
line you're using when asking for help :)
-Justin
BTW: take a look at "mdrun -h "
bharat gupta wrote:
Thanks sir
But there is one problem that when I am running the mdrun step of 5th
step of lysozyme tutorial, I am getting an error :-
Can not open file:
topol.tpr
Can u tell me how to rectify it ..
--
========================================
Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
MILES-IGERT Trainee
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
========================================
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