[AMBER] problem when doing bond in tleap

From: pxq <pangxueqintea.yahoo.com.cn>
Date: Sat, 3 Apr 2010 15:32:59 +0800

Hello everyone,

    I am trying to add S-S bond to my prmtop in tleap. After load .pdb, I tried " bond residue-number.SG residue-number.SG " and the error report is
" bond: Argument #1 is type String must be of type: [atom]
usage: bond <atom1> <atom2> [order]"

I have also tried
 " bond residue-name.residue-number.SG residue-name.residue-number.SG S "
  "bond trx.residue-number.SG trx.residue-number.SG "
But faild. And I am sure the residue number and atom name (SG) are right.

    What is the possible reason for this error, and what should I do?

Thank you for your suggestion.

Xueqin


=============================================================================================================
Pang Xueqin
State Key Laboratory of Molecular Reaction Dynamics
Dalian Institute of Chemical Physics
Chinese Academy of Sciences.
Tel: 0411-84379352 Fax: 0411-84675584
=============================================================================================================

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http://cn.mail.yahoo.com


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Received on Sat Apr 03 2010 - 01:00:02 PDT
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