amber-developers: Re: [amber9] Bug on reading unformatted inpcrd file to restart

From: Mengjuei Hsieh <mengjueh.uci.edu>
Date: Sat, 30 Dec 2006 22:01:22 -0800

Hi,

It turns out that I sent a wrong patch to this sander bug. The correct one
is here:
------------------------------------------------
--- src/sander/getcor.f.orig 2006-12-27 15:08:45.000000000 -0800
+++ src/sander/getcor.f 2006-12-30 21:47:41.000000000 -0800
.. -127,7 +127,7 ..
       end if
       
       read(lun) title1
- read(lun) natom
+ read(lun) natom, tt
       if(natom /= nr) then
          write(6,9118)
          call mexit(6, 1)
------------------------------------------------
I am sorry for the mistake.

Best,

-- 
Mengjuei Hsieh
> From: Mengjuei Hsieh <mengjueh.uci.edu>
> Organization: University of California Irvine
> Date: Tue, 07 Nov 2006 19:00:41 -0800
> To: amber-developers list <amber-developers.scripps.edu>
> Conversation: [amber9] Bug on reading unformatted inpcrd file to restart
> Subject: [amber9] Bug on reading unformatted inpcrd file to restart
> 
> Hi,
> 
> I think the inpcrd reading on unformatted restart file in amber9's sander
> misses the begin time. Here is the patch to it.
> 
> 
> 
> Cheers,
> -- 
> Mengjuei Hsieh

Received on Sun Dec 31 2006 - 06:07:57 PST