Re: Re: [AMBER] problem when doing bond in tleap

From: pxq <pangxueqintea.yahoo.com.cn>
Date: Sun, 4 Apr 2010 23:09:38 +0800

case,

thanks, I add unitname in, and it works.

a=loadpdb *.pdb
bond a.residue-number.SG a.residue-number.SG
and it works.

Thanks for your kind help

Xueqin



        

======= 2010-04-03 22:34:05 ÄúÔÚÀ´ÐÅÖÐдµÀ£º=======

>On Sat, Apr 03, 2010, pxq wrote:
>>
>> 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.
>
>You don't say how your are "sure". The sytax is
>unitname.residuenumber.atomname. Use the "desc" command to find out the exact
>names LEaP is using for your system.
>
>....dac
>
>
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¡¡¡¡¡¡¡¡¡¡¡¡¡¡¡¡¡¡¡¡2010-04-04

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Received on Sun Apr 04 2010 - 08:30:02 PDT