Thank you for your help!
Best regards,
Mahsa
On Mon, Aug 7, 2017 at 4:35 PM, Justin Lemkul wrote:
>
>
> On 8/6/17 8:35 PM, Mahsa E wrote:
>
>> Hello Justin,
>>
>> Thank you so much for your reply!
>>
>> I followed what you suggested. Please correct me if I misunderstood;
>>
>>
On 8/6/17 8:35 PM, Mahsa E wrote:
Hello Justin,
Thank you so much for your reply!
I followed what you suggested. Please correct me if I misunderstood;
1- I used acpype to generate the parameters (charges, atom types, and
bonded parameters) for the monomer, which create many files including
Hello Justin,
Thank you so much for your reply!
I followed what you suggested. Please correct me if I misunderstood;
1- I used acpype to generate the parameters (charges, atom types, and
bonded parameters) for the monomer, which create many files including
GMX_OPLS.itp , GMX_OPLS.top and
On 8/5/17 8:12 AM, Mahsa E wrote:
Dear gmx-users,
I am trying to build a polymer box from scratch and generate the required
input files. So far, I did these steps:
1. built a chain of the polymer
2. run ACPYPE to generate the topology file...
However, since the chain is long, it took so long
Dear gmx-users,
I am trying to build a polymer box from scratch and generate the required
input files. So far, I did these steps:
1. built a chain of the polymer
2. run ACPYPE to generate the topology file...
However, since the chain is long, it took so long time with ACPYPE and the
calculation
Dear gmx-users,
I am trying to build a polymer box from scratch and generate the required
input files. So far, I did these steps:
1. built a chain of the polymer
2. run ACPYPE to generate the topology file...
However, since the chain is long, it took so long time with ACPYPE and the
calculation