Hiii
I am trying to create topology and coordinate file for raloxifene-protein
complex. I have generated the paramtop and inpcrd files for the ligand as
well as generated a ral.lib. But when I am typing the script "*saveamberparm
complex 1ERR_A.prmtop 1ERR_A.inpcrd*" it is returning the error as
mentioned below the tleap.in script.What next? Thanks in advance.
source leaprc.ff99SB
source leaprc.gaff
loadamberparams ral.frcmod
loadoff ral.lib
complex = loadpdb 1ERR_A.pdb
saveamberparm complex 1ERR_A.prmtop 1ERR_A.inpcrd
savepdb complex 1ERR_A.pdb
FATAL: Atom .R<PRO 518>.A<HG1 17> does not have a type.
FATAL: Atom .R<PRO 518>.A<HD1 18> does not have a type.
FATAL: Atom .R<LEU 519>.A<HN 20> does not have a type.
FATAL: Atom .R<LEU 519>.A<HB1 21> does not have a type.
FATAL: Atom .R<TYR 520>.A<HN 22> does not have a type.
FATAL: Atom .R<TYR 520>.A<HB1 23> does not have a type.
FATAL: Atom .R<ASP 521>.A<HN 13> does not have a type.
FATAL: Atom .R<ASP 521>.A<HB1 14> does not have a type.
FATAL: Atom .R<LEU 522>.A<HN 20> does not have a type.
FATAL: Atom .R<LEU 522>.A<HB1 21> does not have a type.
FATAL: Atom .R<LEU 523>.A<HN 20> does not have a type.
FATAL: Atom .R<LEU 523>.A<HB1 21> does not have a type.
FATAL: Atom .R<LEU 524>.A<HN 20> does not have a type.
FATAL: Atom .R<LEU 524>.A<HB1 21> does not have a type.
FATAL: Atom .R<GLU 525>.A<HN 16> does not have a type.
FATAL: Atom .R<GLU 525>.A<HB1 17> does not have a type.
FATAL: Atom .R<MET 526>.A<HN 18> does not have a type.
FATAL: Atom .R<MET 526>.A<HB1 19> does not have a type.
FATAL: Atom .R<MET 526>.A<HG1 20> does not have a type.
FATAL: Atom .R<LEU 527>.A<HN 20> does not have a type.
FATAL: Atom .R<LEU 527>.A<HB1 21> does not have a type.
FATAL: Atom .R<ASP 528>.A<HN 13> does not have a type.
FATAL: Atom .R<ASP 528>.A<HB1 14> does not have a type.
FATAL: Atom .R<ALA 529>.A<HN 11> does not have a type.
FATAL: Atom .R<CHIE 530>.A<HN 19> does not have a type.
FATAL: Atom .R<CHIE 530>.A<HC 20> does not have a type.
FATAL: Atom .R<CHIE 530>.A<HB1 21> does not have a type.
FATAL: Atom .R<CHIE 530>.A<HD1 22> does not have a type.
FATAL: Atom .R<L A 531>.A<1R 1> does not have a type.
FATAL: Atom .R<L A 531>.A<2R 2> does not have a type.
FATAL: Atom .R<L A 531>.A<3R 3> does not have a type.
FATAL: Atom .R<L A 531>.A<4R 4> does not have a type.
FATAL: Atom .R<L A 531>.A<5R 5> does not have a type.
FATAL: Atom .R<L A 531>.A<6R 6> does not have a type.
FATAL: Atom .R<L A 531>.A<7R 7> does not have a type.
FATAL: Atom .R<L A 531>.A<8R 8> does not have a type.
FATAL: Atom .R<L A 531>.A<9R 9> does not have a type.
FATAL: Atom .R<L A 531>.A<10R 10> does not have a type.
FATAL: Atom .R<L A 531>.A<11R 11> does not have a type.
FATAL: Atom .R<L A 531>.A<12R 12> does not have a type.
FATAL: Atom .R<L A 531>.A<13R 13> does not have a type.
FATAL: Atom .R<L A 531>.A<14R 14> does not have a type.
FATAL: Atom .R<L A 531>.A<15R 15> does not have a type.
FATAL: Atom .R<L A 531>.A<16R 16> does not have a type.
FATAL: Atom .R<L A 531>.A<17R 17> does not have a type.
FATAL: Atom .R<L A 531>.A<18R 18> does not have a type.
FATAL: Atom .R<L A 531>.A<19R 19> does not have a type.
FATAL: Atom .R<L A 531>.A<20R 20> does not have a type.
FATAL: Atom .R<L A 531>.A<21R 21> does not have a type.
FATAL: Atom .R<L A 531>.A<22R 22> does not have a type.
FATAL: Atom .R<L A 531>.A<23R 23> does not have a type.
FATAL: Atom .R<L A 531>.A<24R 24> does not have a type.
FATAL: Atom .R<L A 531>.A<25R 25> does not have a type.
FATAL: Atom .R<L A 531>.A<26R 26> does not have a type.
FATAL: Atom .R<L A 531>.A<27R 27> does not have a type.
FATAL: Atom .R<L A 531>.A<28R 28> does not have a type.
FATAL: Atom .R<L A 531>.A<29R 29> does not have a type.
FATAL: Atom .R<L A 531>.A<30R 30> does not have a type.
FATAL: Atom .R<L A 531>.A<31R 31> does not have a type.
Failed to generate parameters
Parameter file was not saved.
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Received on Sat Sep 15 2012 - 13:00:03 PDT
