vijay kumar hinge vijay wrote:
Respected sir/madem,
i am using gromacs - 3.1.4 version on sunsolaris platform.i got error
at position restrain at grompp step ,telling dat NO SUCH MOLECULE TYPE
NA+(both are in caps).beofre dat the error which i got , ihv done
following steps
1.first i hv excuted pdb2gmx command den i noted down the charge which
given as out put.charge is -1
2.after editconf(-d 0.9),genbox ,energy minimization(grompp,mdrun) i
had manipulated da .top file by adding #include 'ions.itp,removed one
water molecloe from SOL and added NA+ 1 at da end of topology file .
den i got error after runing da grompp of position restrain ,and i had
changed pr.mdp file ,in that i was added da SOL,0.1,300 (temp)
thanking u for ur patiency
Please use correctly spelled English. Science, and in particular
computational science is an exact and exacting discipline. Communicating
requires care to achieve clarity. If you don't take the time to ensure
your meaning is clear, I might not be going to bother to take the time
to make any meaning clear :-)
Don't use non-standard abbrevations, and do check your spelling.
Mark
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