[gmx-users] Error while running MD in DMSO!

[Anil Kumar]

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)
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Mumbai-400076,Ph.No.:-022-25721017(Hostel)
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"Education is a progressive discovery of our ignorance"

- Will Durant
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