Dear Jiten ,Ross and Hucke
Thanks a lot for your help!I have solved my problems in sander.
He Xiao
>Hello,
>
>It shows that your crd (also top file) do not contain the box informations.
>If your system doesn't require periodic boundary condition, set ntb=0
>(default is ntb=1 for cosntant volume)
>
>Jiten
>
>----- Original Message -----
>From: "Xiao He" <hx.itcc.nju.edu.cn>
>To: "amber" <amber.scripps.edu>
>Sent: Saturday, October 30, 2004 3:49 PM
>Subject: AMBER: sander error
>
>
>> Dear amber users,
>>
>> My crd and top files are from tleap
>>
>> Minimization with Cartesian restraints for the solute
>> &cntrl
>> imin=1,ncyc=30,maxcyc=1000,
>> ntpr=5,
>> ntr=1,
>> &end
>> Group input for restrained atoms
>> 100.0
>> RES 1 927
>> END
>> END
>>
>>
>> --------------------------------------------------------------------------------
>> 1. RESOURCE USE:
>> --------------------------------------------------------------------------------
>>
>> | Flags:
>> getting new box info from bottom of inpcrd
>> | peek_ewald_inpcrd: Box info not found in inpcrd
>>
>> Thanks!
>>
>>
>> Xiao He
>> hx.itcc.nju.edu.cn
>> 2004-10-30
>>
>>
>>
>> -----------------------------------------------------------------------
>> The AMBER Mail Reflector
>> To post, send mail to amber.scripps.edu
>> To unsubscribe, send "unsubscribe amber" to majordomo.scripps.edu
>>
>>
>
>-----------------------------------------------------------------------
>The AMBER Mail Reflector
>To post, send mail to amber.scripps.edu
>To unsubscribe, send "unsubscribe amber" to majordomo.scripps.edu
= = = = = = = = = = = = = = = = = = = =
致
礼！
Xiao He
hx.itcc.nju.edu.cn
2004-10-30
-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber.scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo.scripps.edu
Received on Sat Oct 30 2004 - 09:53:00 PDT
