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

Anil Kumar anil at chem.iitb.ac.in
Sat May 12 10:33:11 CEST 2007

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
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

(¨`•.•´¨) Always
`•.¸(¨`•.•´¨) Keep
(¨`•.•´¨)¸.•´ Smiling!
                «•´`•.(*•.¸(`•.¸ ¸.•´)¸.•*).•´`•»
                 «•´¨*•.¸¸. *  ANIL  *.¸¸.•*¨`•»
                «•´`•.(¸.•´(¸.•* *•.¸)`•.¸).•´`•»

ANIL KUMAR(Research Scholar),
Bio-Organic Lab No-336(2nd Floor),
Dept. of Chemistry,I.I.T.Bombay,Powai,
Ph. No.-022-25764780(Lab)
Hostel#1,Room#297,IIT Bombay,Powai,
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