Dear All,
I am running my simulations in explicit MeOH and DMSO. In case of MeOH, it
is running fine but while running in DMSO.
After running genbox i am having problem in running grompp for energy
minimization.
Error which i got is given below.
Cleaning up temporary file gromppkkHvWC
Fatal error: Atomtype 'SD' not found!
Please, anyone let me know why it is happening when i had used the
dmso.gro and dmso.itp files which is available by default to top folder.
Thanks in advance.
With Warm Regards
Anil
--
(¨`.´¨) Always
`.¸(¨`.´¨) Keep
(¨`.´¨)¸.´ Smiling!
`.¸.´
«´`.(*.¸(`.¸ ¸.´)¸.*).´`»
«´¨*.¸¸. * ANIL *.¸¸.*¨`»
«´`.(¸.´(¸.* *.¸)`.¸).´`»
ANIL KUMAR(Research Scholar),
Bio-Organic Lab No-336(2nd Floor),
Dept. of Chemistry,I.I.T.Bombay,Powai,
Mumbai-400076,
Ph. No.-022-25764780(Lab)
-----------------------------------------
Residence:-
Hostel#1,Room#297,IIT Bombay,Powai,
Mumbai-400076,Ph.No.:-022-25721017(Hostel)
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Web:http://chemanil.googlepages.com/
--------------------------
"Education is a progressive discovery of our ignorance"
- Will Durant
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