Dear amber user
We want to make urea molecule considering duffy model. for this first we
make lib file and frcmod file.
After loading the lib file ,we saved the molecule as pdb. then we want to
save prmtop and inpcrd file from that pdb .
u1=loadpdb ure.pdb
saveamberparm u1 u1.prmtop u1.inpcrd
FATAL: Atom .R <URE 1> .A<H1 1> does not have atype
FATAL: Atom .R <URE 1> .A<H2 2> does not have atype
FATAL: Atom .R <URE 1> .A<H3 3> does not have atype
FATAL: Atom .R <URE 1> .A<H4 4> does not have atype
FATAL: Atom .R <URE 1> .A<C 5> does not have atype
FATAL: Atom .R <URE 1> .A<O 6> does not have atype
FATAL: Atom .R <URE 1> .A<N1 7> does not have atype
FATAL: Atom .R <URE 1> .A<N2 8> does not have atype
Failed to generate parameters
parameter files are not generate
Why it comes as this?
please help me
thanking you
subrata
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Received on Sat Feb 05 2011 - 21:30:04 PST
